----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:22:49]------------------------- 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 5.347759760000000 5.812279199999999 b 3.285884015000000 0.000000000000000 5.812279199999999 c 3.285884015000000 5.347759760000000 0.000000000000000 Atomic positions (fractional): *1 O 0.87675786538923 0.95737590849384 0.33515974299969 15.999 2 O 0.83070648311724 0.33515974299969 0.95737590849384 15.999 3 O 0.33515974299969 0.83070648311724 0.87675786538923 15.999 4 O 0.95737590849384 0.87675786538923 0.83070648311724 15.999 5 O 0.37324213461077 0.29262409150616 0.91484025700031 15.999 6 O 0.41929351688276 0.91484025700031 0.29262409150616 15.999 7 O 0.29262409150616 0.37324213461077 0.41929351688276 15.999 8 O 0.91484025700031 0.41929351688276 0.37324213461077 15.999 *9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 *11 Hg 0.32014935043185 0.67985064956815 0.32014935043185 200.590 12 Hg 0.67985064956815 0.32014935043185 0.67985064956815 200.590 13 Hg 0.92985064956815 0.57014935043185 0.92985064956815 200.590 14 Hg 0.57014935043185 0.92985064956815 0.57014935043185 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.571768029999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695519520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.624558399999998 Atomic positions (fractional): *1 O 0.64626782574677 0.10595880419446 0.41706688694153 15.999 > 1 2 O 0.64626782574677 0.39404119580554 0.08293311305847 15.999 > 2 3 O 0.85373217425323 0.10595880419446 0.08293311305847 15.999 > 3 4 O 0.85373217425323 0.39404119580554 0.41706688694153 15.999 > 4 5 O 0.10373217425323 0.14404119580554 0.33293311305847 15.999 > 5 6 O 0.60373217425323 0.85595880419446 0.16706688694153 15.999 > 6 7 O 0.89626782574677 0.85595880419446 0.33293311305847 15.999 > 7 8 O 0.39626782574677 0.14404119580554 0.16706688694153 15.999 > 8 9 O 0.64626782574677 0.60595880419446 0.91706688694153 15.999 > 1 10 O 0.64626782574677 0.89404119580554 0.58293311305847 15.999 > 2 11 O 0.85373217425323 0.60595880419446 0.58293311305847 15.999 > 3 12 O 0.85373217425323 0.89404119580554 0.91706688694153 15.999 > 4 13 O 0.10373217425323 0.64404119580554 0.83293311305847 15.999 > 5 14 O 0.60373217425323 0.35595880419446 0.66706688694153 15.999 > 6 15 O 0.89626782574677 0.35595880419446 0.83293311305847 15.999 > 7 16 O 0.39626782574677 0.64404119580554 0.66706688694153 15.999 > 8 17 O 0.14626782574677 0.10595880419446 0.91706688694153 15.999 > 1 18 O 0.14626782574677 0.39404119580554 0.58293311305847 15.999 > 2 19 O 0.35373217425323 0.10595880419446 0.58293311305847 15.999 > 3 20 O 0.35373217425323 0.39404119580554 0.91706688694153 15.999 > 4 21 O 0.60373217425323 0.14404119580554 0.83293311305847 15.999 > 5 22 O 0.10373217425323 0.85595880419446 0.66706688694153 15.999 > 6 23 O 0.39626782574677 0.85595880419446 0.83293311305847 15.999 > 7 24 O 0.89626782574677 0.14404119580554 0.66706688694153 15.999 > 8 25 O 0.14626782574677 0.60595880419446 0.41706688694153 15.999 > 1 26 O 0.14626782574677 0.89404119580554 0.08293311305847 15.999 > 2 27 O 0.35373217425323 0.60595880419446 0.08293311305847 15.999 > 3 28 O 0.35373217425323 0.89404119580554 0.41706688694153 15.999 > 4 29 O 0.60373217425323 0.64404119580554 0.33293311305847 15.999 > 5 30 O 0.10373217425323 0.35595880419446 0.16706688694153 15.999 > 6 31 O 0.39626782574677 0.35595880419446 0.33293311305847 15.999 > 7 32 O 0.89626782574677 0.64404119580554 0.16706688694153 15.999 > 8 *33 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 9 34 Ge 0.75000000000000 0.75000000000000 0.25000000000000 72.640 > 10 35 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 9 36 Ge 0.75000000000000 0.25000000000000 0.75000000000000 72.640 > 10 37 Ge 0.50000000000000 0.00000000000000 0.50000000000000 72.640 > 9 38 Ge 0.25000000000000 0.75000000000000 0.75000000000000 72.640 > 10 39 Ge 0.50000000000000 0.50000000000000 0.00000000000000 72.640 > 9 40 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 > 10 *41 Hg 0.50000000000000 0.82014935043185 0.00000000000000 200.590 > 11 42 Hg 0.50000000000000 0.17985064956815 0.00000000000000 200.590 > 12 43 Hg 0.75000000000000 0.42985064956815 0.25000000000000 200.590 > 13 44 Hg 0.75000000000000 0.07014935043185 0.25000000000000 200.590 > 14 45 Hg 0.50000000000000 0.32014935043185 0.50000000000000 200.590 > 11 46 Hg 0.50000000000000 0.67985064956815 0.50000000000000 200.590 > 12 47 Hg 0.75000000000000 0.92985064956815 0.75000000000000 200.590 > 13 48 Hg 0.75000000000000 0.57014935043185 0.75000000000000 200.590 > 14 49 Hg 0.00000000000000 0.82014935043185 0.50000000000000 200.590 > 11 50 Hg 0.00000000000000 0.17985064956815 0.50000000000000 200.590 > 12 51 Hg 0.25000000000000 0.42985064956815 0.75000000000000 200.590 > 13 52 Hg 0.25000000000000 0.07014935043185 0.75000000000000 200.590 > 14 53 Hg 0.00000000000000 0.32014935043185 0.00000000000000 200.590 > 11 54 Hg 0.00000000000000 0.67985064956815 0.00000000000000 200.590 > 12 55 Hg 0.25000000000000 0.92985064956815 0.25000000000000 200.590 > 13 56 Hg 0.25000000000000 0.57014935043185 0.25000000000000 200.590 > 14 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.143536059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695519520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.624558399999998 Atomic positions (fractional): *1 O 0.32313391287338 0.10595880419446 0.41706688694153 15.999 > 1 2 O 0.82313391287338 0.10595880419446 0.41706688694153 15.999 > 1 3 O 0.32313391287338 0.39404119580554 0.08293311305847 15.999 > 2 4 O 0.82313391287338 0.39404119580554 0.08293311305847 15.999 > 2 5 O 0.42686608712662 0.10595880419446 0.08293311305847 15.999 > 3 6 O 0.92686608712662 0.10595880419446 0.08293311305847 15.999 > 3 7 O 0.42686608712662 0.39404119580554 0.41706688694153 15.999 > 4 8 O 0.92686608712662 0.39404119580554 0.41706688694153 15.999 > 4 9 O 0.05186608712662 0.14404119580554 0.33293311305847 15.999 > 5 10 O 0.55186608712662 0.14404119580554 0.33293311305847 15.999 > 5 11 O 0.30186608712662 0.85595880419446 0.16706688694153 15.999 > 6 12 O 0.80186608712662 0.85595880419446 0.16706688694153 15.999 > 6 13 O 0.44813391287338 0.85595880419446 0.33293311305847 15.999 > 7 14 O 0.94813391287338 0.85595880419446 0.33293311305847 15.999 > 7 15 O 0.19813391287338 0.14404119580554 0.16706688694153 15.999 > 8 16 O 0.69813391287338 0.14404119580554 0.16706688694153 15.999 > 8 17 O 0.32313391287338 0.60595880419446 0.91706688694153 15.999 > 1 18 O 0.82313391287338 0.60595880419446 0.91706688694153 15.999 > 1 19 O 0.32313391287338 0.89404119580554 0.58293311305847 15.999 > 2 20 O 0.82313391287338 0.89404119580554 0.58293311305847 15.999 > 2 21 O 0.42686608712662 0.60595880419446 0.58293311305847 15.999 > 3 22 O 0.92686608712662 0.60595880419446 0.58293311305847 15.999 > 3 23 O 0.42686608712662 0.89404119580554 0.91706688694153 15.999 > 4 24 O 0.92686608712662 0.89404119580554 0.91706688694153 15.999 > 4 25 O 0.05186608712662 0.64404119580554 0.83293311305847 15.999 > 5 26 O 0.55186608712662 0.64404119580554 0.83293311305847 15.999 > 5 27 O 0.30186608712662 0.35595880419446 0.66706688694153 15.999 > 6 28 O 0.80186608712662 0.35595880419446 0.66706688694153 15.999 > 6 29 O 0.44813391287338 0.35595880419446 0.83293311305847 15.999 > 7 30 O 0.94813391287338 0.35595880419446 0.83293311305847 15.999 > 7 31 O 0.19813391287338 0.64404119580554 0.66706688694153 15.999 > 8 32 O 0.69813391287338 0.64404119580554 0.66706688694153 15.999 > 8 33 O 0.07313391287338 0.10595880419446 0.91706688694153 15.999 > 1 34 O 0.57313391287338 0.10595880419446 0.91706688694153 15.999 > 1 35 O 0.07313391287338 0.39404119580554 0.58293311305847 15.999 > 2 36 O 0.57313391287338 0.39404119580554 0.58293311305847 15.999 > 2 37 O 0.17686608712662 0.10595880419446 0.58293311305847 15.999 > 3 38 O 0.67686608712662 0.10595880419446 0.58293311305847 15.999 > 3 39 O 0.17686608712662 0.39404119580554 0.91706688694153 15.999 > 4 40 O 0.67686608712662 0.39404119580554 0.91706688694153 15.999 > 4 41 O 0.30186608712662 0.14404119580554 0.83293311305847 15.999 > 5 42 O 0.80186608712662 0.14404119580554 0.83293311305847 15.999 > 5 43 O 0.05186608712662 0.85595880419446 0.66706688694153 15.999 > 6 44 O 0.55186608712662 0.85595880419446 0.66706688694153 15.999 > 6 45 O 0.19813391287338 0.85595880419446 0.83293311305847 15.999 > 7 46 O 0.69813391287338 0.85595880419446 0.83293311305847 15.999 > 7 47 O 0.44813391287338 0.14404119580554 0.66706688694153 15.999 > 8 48 O 0.94813391287338 0.14404119580554 0.66706688694153 15.999 > 8 49 O 0.07313391287338 0.60595880419446 0.41706688694153 15.999 > 1 50 O 0.57313391287338 0.60595880419446 0.41706688694153 15.999 > 1 51 O 0.07313391287338 0.89404119580554 0.08293311305847 15.999 > 2 52 O 0.57313391287338 0.89404119580554 0.08293311305847 15.999 > 2 53 O 0.17686608712662 0.60595880419446 0.08293311305847 15.999 > 3 54 O 0.67686608712662 0.60595880419446 0.08293311305847 15.999 > 3 55 O 0.17686608712662 0.89404119580554 0.41706688694153 15.999 > 4 56 O 0.67686608712662 0.89404119580554 0.41706688694153 15.999 > 4 57 O 0.30186608712662 0.64404119580554 0.33293311305847 15.999 > 5 58 O 0.80186608712662 0.64404119580554 0.33293311305847 15.999 > 5 59 O 0.05186608712662 0.35595880419446 0.16706688694153 15.999 > 6 60 O 0.55186608712662 0.35595880419446 0.16706688694153 15.999 > 6 61 O 0.19813391287338 0.35595880419446 0.33293311305847 15.999 > 7 62 O 0.69813391287338 0.35595880419446 0.33293311305847 15.999 > 7 63 O 0.44813391287338 0.64404119580554 0.16706688694153 15.999 > 8 64 O 0.94813391287338 0.64404119580554 0.16706688694153 15.999 > 8 *65 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 9 66 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 9 67 Ge 0.37500000000000 0.75000000000000 0.25000000000000 72.640 > 10 68 Ge 0.87500000000000 0.75000000000000 0.25000000000000 72.640 > 10 69 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 9 70 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 9 71 Ge 0.37500000000000 0.25000000000000 0.75000000000000 72.640 > 10 72 Ge 0.87500000000000 0.25000000000000 0.75000000000000 72.640 > 10 73 Ge 0.25000000000000 0.00000000000000 0.50000000000000 72.640 > 9 74 Ge 0.75000000000000 0.00000000000000 0.50000000000000 72.640 > 9 75 Ge 0.12500000000000 0.75000000000000 0.75000000000000 72.640 > 10 76 Ge 0.62500000000000 0.75000000000000 0.75000000000000 72.640 > 10 77 Ge 0.25000000000000 0.50000000000000 0.00000000000000 72.640 > 9 78 Ge 0.75000000000000 0.50000000000000 0.00000000000000 72.640 > 9 79 Ge 0.12500000000000 0.25000000000000 0.25000000000000 72.640 > 10 80 Ge 0.62500000000000 0.25000000000000 0.25000000000000 72.640 > 10 *81 Hg 0.25000000000000 0.82014935043185 0.00000000000000 200.590 > 11 82 Hg 0.75000000000000 0.82014935043185 0.00000000000000 200.590 > 11 83 Hg 0.25000000000000 0.17985064956815 0.00000000000000 200.590 > 12 84 Hg 0.75000000000000 0.17985064956815 0.00000000000000 200.590 > 12 85 Hg 0.37500000000000 0.42985064956815 0.25000000000000 200.590 > 13 86 Hg 0.87500000000000 0.42985064956815 0.25000000000000 200.590 > 13 87 Hg 0.37500000000000 0.07014935043185 0.25000000000000 200.590 > 14 88 Hg 0.87500000000000 0.07014935043185 0.25000000000000 200.590 > 14 89 Hg 0.25000000000000 0.32014935043185 0.50000000000000 200.590 > 11 90 Hg 0.75000000000000 0.32014935043185 0.50000000000000 200.590 > 11 91 Hg 0.25000000000000 0.67985064956815 0.50000000000000 200.590 > 12 92 Hg 0.75000000000000 0.67985064956815 0.50000000000000 200.590 > 12 93 Hg 0.37500000000000 0.92985064956815 0.75000000000000 200.590 > 13 94 Hg 0.87500000000000 0.92985064956815 0.75000000000000 200.590 > 13 95 Hg 0.37500000000000 0.57014935043185 0.75000000000000 200.590 > 14 96 Hg 0.87500000000000 0.57014935043185 0.75000000000000 200.590 > 14 97 Hg 0.00000000000000 0.82014935043185 0.50000000000000 200.590 > 11 98 Hg 0.50000000000000 0.82014935043185 0.50000000000000 200.590 > 11 99 Hg 0.00000000000000 0.17985064956815 0.50000000000000 200.590 > 12 100 Hg 0.50000000000000 0.17985064956815 0.50000000000000 200.590 > 12 101 Hg 0.12500000000000 0.42985064956815 0.75000000000000 200.590 > 13 102 Hg 0.62500000000000 0.42985064956815 0.75000000000000 200.590 > 13 103 Hg 0.12500000000000 0.07014935043185 0.75000000000000 200.590 > 14 104 Hg 0.62500000000000 0.07014935043185 0.75000000000000 200.590 > 14 105 Hg 0.00000000000000 0.32014935043185 0.00000000000000 200.590 > 11 106 Hg 0.50000000000000 0.32014935043185 0.00000000000000 200.590 > 11 107 Hg 0.00000000000000 0.67985064956815 0.00000000000000 200.590 > 12 108 Hg 0.50000000000000 0.67985064956815 0.00000000000000 200.590 > 12 109 Hg 0.12500000000000 0.92985064956815 0.25000000000000 200.590 > 13 110 Hg 0.62500000000000 0.92985064956815 0.25000000000000 200.590 > 13 111 Hg 0.12500000000000 0.57014935043185 0.25000000000000 200.590 > 14 112 Hg 0.62500000000000 0.57014935043185 0.25000000000000 200.590 > 14 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3491040 0.0000000 0.0000000 0.0000000 5.2680988 0.0000000 0.0000000 0.0000000 6.1160639 -------------------------- Born effective charges -------------------------- 1 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 2 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 3 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 4 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 5 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 6 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 7 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 8 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 9 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 10 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 11 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 12 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 13 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 14 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 0.985 Solver_block: 200 / 240 - Time: 1.001 Solver_block: 240 / 240 - Time: 0.461 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.466 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 9366/9366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 972 Number of blocks in projector: 972 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: 202 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 188 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 186 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 132 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 132 Use standard eigh solver. Tree of FC basis block matrices: - (972, 955), data: False |-- (132, 129), data: True |-- (132, 129), data: True |-- (132, 129), data: True |-- (186, 184), data: True |-- (188, 186), data: True |-- (202, 198), 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 00:23:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:23:02]------------------------- 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 5.347759760000000 5.812279199999999 b 3.285884015000000 0.000000000000000 5.812279199999999 c 3.285884015000000 5.347759760000000 0.000000000000000 Atomic positions (fractional): 1 O 0.87675786538923 0.95737590849384 0.33515974299969 15.999 2 O 0.83070648311724 0.33515974299969 0.95737590849384 15.999 3 O 0.33515974299969 0.83070648311724 0.87675786538923 15.999 4 O 0.95737590849384 0.87675786538923 0.83070648311724 15.999 5 O 0.37324213461077 0.29262409150616 0.91484025700031 15.999 6 O 0.41929351688276 0.91484025700031 0.29262409150616 15.999 7 O 0.29262409150616 0.37324213461077 0.41929351688276 15.999 8 O 0.91484025700031 0.41929351688276 0.37324213461077 15.999 9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 11 Hg 0.32014935043185 0.67985064956815 0.32014935043185 200.590 12 Hg 0.67985064956815 0.32014935043185 0.67985064956815 200.590 13 Hg 0.92985064956815 0.57014935043185 0.92985064956815 200.590 14 Hg 0.57014935043185 0.92985064956815 0.57014935043185 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.143536059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695519520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.624558399999998 Atomic positions (fractional): 1 O 0.32313391287338 0.10595880419446 0.41706688694153 15.999 > 1 2 O 0.82313391287338 0.10595880419446 0.41706688694153 15.999 > 1 3 O 0.32313391287338 0.39404119580554 0.08293311305847 15.999 > 3 4 O 0.82313391287338 0.39404119580554 0.08293311305847 15.999 > 3 5 O 0.42686608712662 0.10595880419446 0.08293311305847 15.999 > 5 6 O 0.92686608712662 0.10595880419446 0.08293311305847 15.999 > 5 7 O 0.42686608712662 0.39404119580554 0.41706688694153 15.999 > 7 8 O 0.92686608712662 0.39404119580554 0.41706688694153 15.999 > 7 9 O 0.05186608712662 0.14404119580554 0.33293311305847 15.999 > 9 10 O 0.55186608712662 0.14404119580554 0.33293311305847 15.999 > 9 11 O 0.30186608712662 0.85595880419446 0.16706688694153 15.999 > 11 12 O 0.80186608712662 0.85595880419446 0.16706688694153 15.999 > 11 13 O 0.44813391287338 0.85595880419446 0.33293311305847 15.999 > 13 14 O 0.94813391287338 0.85595880419446 0.33293311305847 15.999 > 13 15 O 0.19813391287338 0.14404119580554 0.16706688694153 15.999 > 15 16 O 0.69813391287338 0.14404119580554 0.16706688694153 15.999 > 15 17 O 0.32313391287338 0.60595880419446 0.91706688694153 15.999 > 1 18 O 0.82313391287338 0.60595880419446 0.91706688694153 15.999 > 1 19 O 0.32313391287338 0.89404119580554 0.58293311305847 15.999 > 3 20 O 0.82313391287338 0.89404119580554 0.58293311305847 15.999 > 3 21 O 0.42686608712662 0.60595880419446 0.58293311305847 15.999 > 5 22 O 0.92686608712662 0.60595880419446 0.58293311305847 15.999 > 5 23 O 0.42686608712662 0.89404119580554 0.91706688694153 15.999 > 7 24 O 0.92686608712662 0.89404119580554 0.91706688694153 15.999 > 7 25 O 0.05186608712662 0.64404119580554 0.83293311305847 15.999 > 9 26 O 0.55186608712662 0.64404119580554 0.83293311305847 15.999 > 9 27 O 0.30186608712662 0.35595880419446 0.66706688694153 15.999 > 11 28 O 0.80186608712662 0.35595880419446 0.66706688694153 15.999 > 11 29 O 0.44813391287338 0.35595880419446 0.83293311305847 15.999 > 13 30 O 0.94813391287338 0.35595880419446 0.83293311305847 15.999 > 13 31 O 0.19813391287338 0.64404119580554 0.66706688694153 15.999 > 15 32 O 0.69813391287338 0.64404119580554 0.66706688694153 15.999 > 15 33 O 0.07313391287338 0.10595880419446 0.91706688694153 15.999 > 1 34 O 0.57313391287338 0.10595880419446 0.91706688694153 15.999 > 1 35 O 0.07313391287338 0.39404119580554 0.58293311305847 15.999 > 3 36 O 0.57313391287338 0.39404119580554 0.58293311305847 15.999 > 3 37 O 0.17686608712662 0.10595880419446 0.58293311305847 15.999 > 5 38 O 0.67686608712662 0.10595880419446 0.58293311305847 15.999 > 5 39 O 0.17686608712662 0.39404119580554 0.91706688694153 15.999 > 7 40 O 0.67686608712662 0.39404119580554 0.91706688694153 15.999 > 7 41 O 0.30186608712662 0.14404119580554 0.83293311305847 15.999 > 9 42 O 0.80186608712662 0.14404119580554 0.83293311305847 15.999 > 9 43 O 0.05186608712662 0.85595880419446 0.66706688694153 15.999 > 11 44 O 0.55186608712662 0.85595880419446 0.66706688694153 15.999 > 11 45 O 0.19813391287338 0.85595880419446 0.83293311305847 15.999 > 13 46 O 0.69813391287338 0.85595880419446 0.83293311305847 15.999 > 13 47 O 0.44813391287338 0.14404119580554 0.66706688694153 15.999 > 15 48 O 0.94813391287338 0.14404119580554 0.66706688694153 15.999 > 15 49 O 0.07313391287338 0.60595880419446 0.41706688694153 15.999 > 1 50 O 0.57313391287338 0.60595880419446 0.41706688694153 15.999 > 1 51 O 0.07313391287338 0.89404119580554 0.08293311305847 15.999 > 3 52 O 0.57313391287338 0.89404119580554 0.08293311305847 15.999 > 3 53 O 0.17686608712662 0.60595880419446 0.08293311305847 15.999 > 5 54 O 0.67686608712662 0.60595880419446 0.08293311305847 15.999 > 5 55 O 0.17686608712662 0.89404119580554 0.41706688694153 15.999 > 7 56 O 0.67686608712662 0.89404119580554 0.41706688694153 15.999 > 7 57 O 0.30186608712662 0.64404119580554 0.33293311305847 15.999 > 9 58 O 0.80186608712662 0.64404119580554 0.33293311305847 15.999 > 9 59 O 0.05186608712662 0.35595880419446 0.16706688694153 15.999 > 11 60 O 0.55186608712662 0.35595880419446 0.16706688694153 15.999 > 11 61 O 0.19813391287338 0.35595880419446 0.33293311305847 15.999 > 13 62 O 0.69813391287338 0.35595880419446 0.33293311305847 15.999 > 13 63 O 0.44813391287338 0.64404119580554 0.16706688694153 15.999 > 15 64 O 0.94813391287338 0.64404119580554 0.16706688694153 15.999 > 15 65 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 65 66 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 65 67 Ge 0.37500000000000 0.75000000000000 0.25000000000000 72.640 > 67 68 Ge 0.87500000000000 0.75000000000000 0.25000000000000 72.640 > 67 69 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 65 70 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 65 71 Ge 0.37500000000000 0.25000000000000 0.75000000000000 72.640 > 67 72 Ge 0.87500000000000 0.25000000000000 0.75000000000000 72.640 > 67 73 Ge 0.25000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.75000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.12500000000000 0.75000000000000 0.75000000000000 72.640 > 67 76 Ge 0.62500000000000 0.75000000000000 0.75000000000000 72.640 > 67 77 Ge 0.25000000000000 0.50000000000000 0.00000000000000 72.640 > 65 78 Ge 0.75000000000000 0.50000000000000 0.00000000000000 72.640 > 65 79 Ge 0.12500000000000 0.25000000000000 0.25000000000000 72.640 > 67 80 Ge 0.62500000000000 0.25000000000000 0.25000000000000 72.640 > 67 81 Hg 0.25000000000000 0.82014935043185 0.00000000000000 200.590 > 81 82 Hg 0.75000000000000 0.82014935043185 0.00000000000000 200.590 > 81 83 Hg 0.25000000000000 0.17985064956815 0.00000000000000 200.590 > 83 84 Hg 0.75000000000000 0.17985064956815 0.00000000000000 200.590 > 83 85 Hg 0.37500000000000 0.42985064956815 0.25000000000000 200.590 > 85 86 Hg 0.87500000000000 0.42985064956815 0.25000000000000 200.590 > 85 87 Hg 0.37500000000000 0.07014935043185 0.25000000000000 200.590 > 87 88 Hg 0.87500000000000 0.07014935043185 0.25000000000000 200.590 > 87 89 Hg 0.25000000000000 0.32014935043185 0.50000000000000 200.590 > 81 90 Hg 0.75000000000000 0.32014935043185 0.50000000000000 200.590 > 81 91 Hg 0.25000000000000 0.67985064956815 0.50000000000000 200.590 > 83 92 Hg 0.75000000000000 0.67985064956815 0.50000000000000 200.590 > 83 93 Hg 0.37500000000000 0.92985064956815 0.75000000000000 200.590 > 85 94 Hg 0.87500000000000 0.92985064956815 0.75000000000000 200.590 > 85 95 Hg 0.37500000000000 0.57014935043185 0.75000000000000 200.590 > 87 96 Hg 0.87500000000000 0.57014935043185 0.75000000000000 200.590 > 87 97 Hg 0.00000000000000 0.82014935043185 0.50000000000000 200.590 > 81 98 Hg 0.50000000000000 0.82014935043185 0.50000000000000 200.590 > 81 99 Hg 0.00000000000000 0.17985064956815 0.50000000000000 200.590 > 83 100 Hg 0.50000000000000 0.17985064956815 0.50000000000000 200.590 > 83 101 Hg 0.12500000000000 0.42985064956815 0.75000000000000 200.590 > 85 102 Hg 0.62500000000000 0.42985064956815 0.75000000000000 200.590 > 85 103 Hg 0.12500000000000 0.07014935043185 0.75000000000000 200.590 > 87 104 Hg 0.62500000000000 0.07014935043185 0.75000000000000 200.590 > 87 105 Hg 0.00000000000000 0.32014935043185 0.00000000000000 200.590 > 81 106 Hg 0.50000000000000 0.32014935043185 0.00000000000000 200.590 > 81 107 Hg 0.00000000000000 0.67985064956815 0.00000000000000 200.590 > 83 108 Hg 0.50000000000000 0.67985064956815 0.00000000000000 200.590 > 83 109 Hg 0.12500000000000 0.92985064956815 0.25000000000000 200.590 > 85 110 Hg 0.62500000000000 0.92985064956815 0.25000000000000 200.590 > 85 111 Hg 0.12500000000000 0.57014935043185 0.25000000000000 200.590 > 87 112 Hg 0.62500000000000 0.57014935043185 0.25000000000000 200.590 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3491040 0.0000000 0.0000000 0.0000000 5.2680988 0.0000000 0.0000000 0.0000000 6.1160639 -------------------------- Born effective charges -------------------------- 1 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 2 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 3 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 4 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 5 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 6 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 7 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 8 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 9 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 10 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 11 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 12 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 13 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 14 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 ---------------------------------------------------------------------------- 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[ 81, 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: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:23:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:23:14]------------------------- 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: 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 5.347759760000000 5.812279199999999 b 3.285884015000000 0.000000000000000 5.812279199999999 c 3.285884015000000 5.347759760000000 0.000000000000000 Atomic positions (fractional): 1 O 0.87675786538923 0.95737590849384 0.33515974299969 15.999 2 O 0.83070648311724 0.33515974299969 0.95737590849384 15.999 3 O 0.33515974299969 0.83070648311724 0.87675786538923 15.999 4 O 0.95737590849384 0.87675786538923 0.83070648311724 15.999 5 O 0.37324213461077 0.29262409150616 0.91484025700031 15.999 6 O 0.41929351688276 0.91484025700031 0.29262409150616 15.999 7 O 0.29262409150616 0.37324213461077 0.41929351688276 15.999 8 O 0.91484025700031 0.41929351688276 0.37324213461077 15.999 9 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 10 Ge 0.25000000000000 0.25000000000000 0.25000000000000 72.640 11 Hg 0.32014935043185 0.67985064956815 0.32014935043185 200.590 12 Hg 0.67985064956815 0.32014935043185 0.67985064956815 200.590 13 Hg 0.92985064956815 0.57014935043185 0.92985064956815 200.590 14 Hg 0.57014935043185 0.92985064956815 0.57014935043185 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.143536059999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.695519520000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.624558399999998 Atomic positions (fractional): 1 O 0.32313391287338 0.10595880419446 0.41706688694153 15.999 > 1 2 O 0.82313391287338 0.10595880419446 0.41706688694153 15.999 > 1 3 O 0.32313391287338 0.39404119580554 0.08293311305847 15.999 > 3 4 O 0.82313391287338 0.39404119580554 0.08293311305847 15.999 > 3 5 O 0.42686608712662 0.10595880419446 0.08293311305847 15.999 > 5 6 O 0.92686608712662 0.10595880419446 0.08293311305847 15.999 > 5 7 O 0.42686608712662 0.39404119580554 0.41706688694153 15.999 > 7 8 O 0.92686608712662 0.39404119580554 0.41706688694153 15.999 > 7 9 O 0.05186608712662 0.14404119580554 0.33293311305847 15.999 > 9 10 O 0.55186608712662 0.14404119580554 0.33293311305847 15.999 > 9 11 O 0.30186608712662 0.85595880419446 0.16706688694153 15.999 > 11 12 O 0.80186608712662 0.85595880419446 0.16706688694153 15.999 > 11 13 O 0.44813391287338 0.85595880419446 0.33293311305847 15.999 > 13 14 O 0.94813391287338 0.85595880419446 0.33293311305847 15.999 > 13 15 O 0.19813391287338 0.14404119580554 0.16706688694153 15.999 > 15 16 O 0.69813391287338 0.14404119580554 0.16706688694153 15.999 > 15 17 O 0.32313391287338 0.60595880419446 0.91706688694153 15.999 > 1 18 O 0.82313391287338 0.60595880419446 0.91706688694153 15.999 > 1 19 O 0.32313391287338 0.89404119580554 0.58293311305847 15.999 > 3 20 O 0.82313391287338 0.89404119580554 0.58293311305847 15.999 > 3 21 O 0.42686608712662 0.60595880419446 0.58293311305847 15.999 > 5 22 O 0.92686608712662 0.60595880419446 0.58293311305847 15.999 > 5 23 O 0.42686608712662 0.89404119580554 0.91706688694153 15.999 > 7 24 O 0.92686608712662 0.89404119580554 0.91706688694153 15.999 > 7 25 O 0.05186608712662 0.64404119580554 0.83293311305847 15.999 > 9 26 O 0.55186608712662 0.64404119580554 0.83293311305847 15.999 > 9 27 O 0.30186608712662 0.35595880419446 0.66706688694153 15.999 > 11 28 O 0.80186608712662 0.35595880419446 0.66706688694153 15.999 > 11 29 O 0.44813391287338 0.35595880419446 0.83293311305847 15.999 > 13 30 O 0.94813391287338 0.35595880419446 0.83293311305847 15.999 > 13 31 O 0.19813391287338 0.64404119580554 0.66706688694153 15.999 > 15 32 O 0.69813391287338 0.64404119580554 0.66706688694153 15.999 > 15 33 O 0.07313391287338 0.10595880419446 0.91706688694153 15.999 > 1 34 O 0.57313391287338 0.10595880419446 0.91706688694153 15.999 > 1 35 O 0.07313391287338 0.39404119580554 0.58293311305847 15.999 > 3 36 O 0.57313391287338 0.39404119580554 0.58293311305847 15.999 > 3 37 O 0.17686608712662 0.10595880419446 0.58293311305847 15.999 > 5 38 O 0.67686608712662 0.10595880419446 0.58293311305847 15.999 > 5 39 O 0.17686608712662 0.39404119580554 0.91706688694153 15.999 > 7 40 O 0.67686608712662 0.39404119580554 0.91706688694153 15.999 > 7 41 O 0.30186608712662 0.14404119580554 0.83293311305847 15.999 > 9 42 O 0.80186608712662 0.14404119580554 0.83293311305847 15.999 > 9 43 O 0.05186608712662 0.85595880419446 0.66706688694153 15.999 > 11 44 O 0.55186608712662 0.85595880419446 0.66706688694153 15.999 > 11 45 O 0.19813391287338 0.85595880419446 0.83293311305847 15.999 > 13 46 O 0.69813391287338 0.85595880419446 0.83293311305847 15.999 > 13 47 O 0.44813391287338 0.14404119580554 0.66706688694153 15.999 > 15 48 O 0.94813391287338 0.14404119580554 0.66706688694153 15.999 > 15 49 O 0.07313391287338 0.60595880419446 0.41706688694153 15.999 > 1 50 O 0.57313391287338 0.60595880419446 0.41706688694153 15.999 > 1 51 O 0.07313391287338 0.89404119580554 0.08293311305847 15.999 > 3 52 O 0.57313391287338 0.89404119580554 0.08293311305847 15.999 > 3 53 O 0.17686608712662 0.60595880419446 0.08293311305847 15.999 > 5 54 O 0.67686608712662 0.60595880419446 0.08293311305847 15.999 > 5 55 O 0.17686608712662 0.89404119580554 0.41706688694153 15.999 > 7 56 O 0.67686608712662 0.89404119580554 0.41706688694153 15.999 > 7 57 O 0.30186608712662 0.64404119580554 0.33293311305847 15.999 > 9 58 O 0.80186608712662 0.64404119580554 0.33293311305847 15.999 > 9 59 O 0.05186608712662 0.35595880419446 0.16706688694153 15.999 > 11 60 O 0.55186608712662 0.35595880419446 0.16706688694153 15.999 > 11 61 O 0.19813391287338 0.35595880419446 0.33293311305847 15.999 > 13 62 O 0.69813391287338 0.35595880419446 0.33293311305847 15.999 > 13 63 O 0.44813391287338 0.64404119580554 0.16706688694153 15.999 > 15 64 O 0.94813391287338 0.64404119580554 0.16706688694153 15.999 > 15 65 Ge 0.00000000000000 0.00000000000000 0.00000000000000 72.640 > 65 66 Ge 0.50000000000000 0.00000000000000 0.00000000000000 72.640 > 65 67 Ge 0.37500000000000 0.75000000000000 0.25000000000000 72.640 > 67 68 Ge 0.87500000000000 0.75000000000000 0.25000000000000 72.640 > 67 69 Ge 0.00000000000000 0.50000000000000 0.50000000000000 72.640 > 65 70 Ge 0.50000000000000 0.50000000000000 0.50000000000000 72.640 > 65 71 Ge 0.37500000000000 0.25000000000000 0.75000000000000 72.640 > 67 72 Ge 0.87500000000000 0.25000000000000 0.75000000000000 72.640 > 67 73 Ge 0.25000000000000 0.00000000000000 0.50000000000000 72.640 > 65 74 Ge 0.75000000000000 0.00000000000000 0.50000000000000 72.640 > 65 75 Ge 0.12500000000000 0.75000000000000 0.75000000000000 72.640 > 67 76 Ge 0.62500000000000 0.75000000000000 0.75000000000000 72.640 > 67 77 Ge 0.25000000000000 0.50000000000000 0.00000000000000 72.640 > 65 78 Ge 0.75000000000000 0.50000000000000 0.00000000000000 72.640 > 65 79 Ge 0.12500000000000 0.25000000000000 0.25000000000000 72.640 > 67 80 Ge 0.62500000000000 0.25000000000000 0.25000000000000 72.640 > 67 81 Hg 0.25000000000000 0.82014935043185 0.00000000000000 200.590 > 81 82 Hg 0.75000000000000 0.82014935043185 0.00000000000000 200.590 > 81 83 Hg 0.25000000000000 0.17985064956815 0.00000000000000 200.590 > 83 84 Hg 0.75000000000000 0.17985064956815 0.00000000000000 200.590 > 83 85 Hg 0.37500000000000 0.42985064956815 0.25000000000000 200.590 > 85 86 Hg 0.87500000000000 0.42985064956815 0.25000000000000 200.590 > 85 87 Hg 0.37500000000000 0.07014935043185 0.25000000000000 200.590 > 87 88 Hg 0.87500000000000 0.07014935043185 0.25000000000000 200.590 > 87 89 Hg 0.25000000000000 0.32014935043185 0.50000000000000 200.590 > 81 90 Hg 0.75000000000000 0.32014935043185 0.50000000000000 200.590 > 81 91 Hg 0.25000000000000 0.67985064956815 0.50000000000000 200.590 > 83 92 Hg 0.75000000000000 0.67985064956815 0.50000000000000 200.590 > 83 93 Hg 0.37500000000000 0.92985064956815 0.75000000000000 200.590 > 85 94 Hg 0.87500000000000 0.92985064956815 0.75000000000000 200.590 > 85 95 Hg 0.37500000000000 0.57014935043185 0.75000000000000 200.590 > 87 96 Hg 0.87500000000000 0.57014935043185 0.75000000000000 200.590 > 87 97 Hg 0.00000000000000 0.82014935043185 0.50000000000000 200.590 > 81 98 Hg 0.50000000000000 0.82014935043185 0.50000000000000 200.590 > 81 99 Hg 0.00000000000000 0.17985064956815 0.50000000000000 200.590 > 83 100 Hg 0.50000000000000 0.17985064956815 0.50000000000000 200.590 > 83 101 Hg 0.12500000000000 0.42985064956815 0.75000000000000 200.590 > 85 102 Hg 0.62500000000000 0.42985064956815 0.75000000000000 200.590 > 85 103 Hg 0.12500000000000 0.07014935043185 0.75000000000000 200.590 > 87 104 Hg 0.62500000000000 0.07014935043185 0.75000000000000 200.590 > 87 105 Hg 0.00000000000000 0.32014935043185 0.00000000000000 200.590 > 81 106 Hg 0.50000000000000 0.32014935043185 0.00000000000000 200.590 > 81 107 Hg 0.00000000000000 0.67985064956815 0.00000000000000 200.590 > 83 108 Hg 0.50000000000000 0.67985064956815 0.00000000000000 200.590 > 83 109 Hg 0.12500000000000 0.92985064956815 0.25000000000000 200.590 > 85 110 Hg 0.62500000000000 0.92985064956815 0.25000000000000 200.590 > 85 111 Hg 0.12500000000000 0.57014935043185 0.25000000000000 200.590 > 87 112 Hg 0.62500000000000 0.57014935043185 0.25000000000000 200.590 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3491040 0.0000000 0.0000000 0.0000000 5.2680988 0.0000000 0.0000000 0.0000000 6.1160639 -------------------------- Born effective charges -------------------------- 1 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 2 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 3 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 4 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 5 O -1.9134529 -0.3874968 0.6183313 -0.2216614 -1.7287095 -0.2250625 0.5885291 0.2906593 -2.3433824 6 O -1.9134529 0.3874968 -0.6183313 0.2216614 -1.7287095 -0.2250625 -0.5885291 0.2906593 -2.3433824 7 O -1.9134529 -0.3874968 -0.6183313 -0.2216614 -1.7287095 0.2250625 -0.5885291 -0.2906593 -2.3433824 8 O -1.9134529 0.3874968 0.6183313 0.2216614 -1.7287095 0.2250625 0.5885291 -0.2906593 -2.3433824 9 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 10 Ge 3.2799126 0.0000000 0.0000000 0.0000000 3.0531594 0.0000000 0.0000000 0.0000000 3.6407052 11 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 12 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 13 Hg 2.1869496 0.0000000 0.2502503 0.0000000 1.9308393 0.0000000 0.1130483 0.0000000 2.8664122 14 Hg 2.1869496 0.0000000 -0.2502503 0.0000000 1.9308393 0.0000000 -0.1130483 0.0000000 2.8664122 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) 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: 0.71, Number of G-points: 303, Lambda: 0.17 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 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 1.434 ( 0.000 0.000 -0.000) 0.000 1.524 ( -0.000 0.000 0.000) 0.000 1.652 ( 0.000 0.000 0.000) 0.000 1.678 ( -0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 -0.000) 0.000 1.919 ( -0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 3.202 ( -0.000 0.000 0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 -0.000) 0.000 4.165 ( 0.000 0.000 -0.000) 0.000 4.491 ( 0.000 0.000 0.000) 0.000 4.597 ( -0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 6.128 ( 0.000 0.000 -0.000) 0.000 7.076 ( -0.000 0.000 0.000) 0.000 7.498 ( 0.000 0.000 0.000) 0.000 7.578 ( -0.000 0.000 0.000) 0.000 8.323 ( 0.000 0.000 0.000) 0.000 8.808 ( -0.000 0.000 0.000) 0.000 10.035 ( -0.000 0.000 -0.000) 0.000 11.506 ( 0.000 0.000 0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.261 ( 0.000 0.000 0.000) 0.000 12.759 ( -0.000 0.000 -0.000) 0.000 12.975 ( -0.000 0.000 0.000) 0.000 13.124 ( -0.000 -0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 19.935 ( 0.000 0.000 0.000) 0.000 20.189 ( 0.000 0.000 -0.000) 0.000 20.383 ( 0.000 0.000 0.000) 0.000 20.658 ( 0.000 0.000 -0.000) 0.000 20.970 ( -0.000 -0.000 -0.000) 0.000 21.972 ( 0.000 0.000 0.000) 0.000 22.118 ( 0.000 0.000 0.000) 0.000 22.144 ( -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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( -11.625 6.572 5.290) 14.364 0.305 ( -11.008 12.218 2.703) 16.667 0.736 ( -22.222 4.338 33.271) 40.244 1.492 ( -0.485 -1.527 11.533) 11.644 1.656 ( -2.537 -0.598 -1.692) 3.108 1.668 ( -1.656 -0.484 1.507) 2.291 1.708 ( -0.606 -2.400 -2.389) 3.440 1.743 ( -3.562 -0.708 3.295) 4.903 1.897 ( 0.980 -0.677 -1.174) 1.672 1.936 ( -2.487 -1.718 7.266) 7.870 2.472 ( -5.300 0.094 -3.139) 6.160 2.649 ( 2.212 -0.098 0.721) 2.329 3.338 ( 7.868 20.160 -0.536) 21.647 4.020 ( 3.637 1.516 -0.816) 4.024 4.192 ( -1.546 1.177 1.118) 2.242 4.438 ( 3.687 -0.869 -3.035) 4.853 4.548 ( -11.579 -1.516 -22.548) 25.393 4.582 ( -4.421 -1.802 -9.061) 10.242 4.895 ( -1.569 -9.133 2.415) 9.576 5.588 ( -1.303 -5.012 0.503) 5.203 6.190 ( -0.950 5.520 5.526) 7.869 7.490 ( -4.174 -2.899 -10.124) 11.328 7.508 ( -3.668 -0.650 -5.973) 7.039 7.840 ( -33.882 -30.746 -20.815) 50.265 8.271 ( 4.210 -0.123 -4.332) 6.042 8.782 ( 2.302 -0.603 -1.104) 2.623 10.012 ( 6.344 3.640 1.652) 7.498 11.536 ( -9.033 -1.070 -14.053) 16.740 11.997 ( 8.161 15.856 -42.644) 46.223 12.504 ( 9.264 15.901 11.072) 21.477 12.934 ( 14.218 0.844 15.404) 20.979 13.002 ( 5.541 0.799 -1.605) 5.824 13.263 ( 5.177 8.916 20.750) 23.170 13.366 ( -2.459 9.495 7.354) 12.259 20.029 ( 3.356 -0.516 9.687) 10.264 20.337 ( 6.255 0.288 -0.301) 6.269 20.543 ( 11.176 -0.740 3.112) 11.625 20.993 ( -19.554 -21.674 9.219) 30.612 21.813 ( -3.786 -20.703 21.644) 30.190 21.998 ( -3.120 -2.594 1.680) 4.392 22.103 ( 2.192 2.635 -1.213) 3.636 22.148 ( 0.407 0.777 0.716) 1.132 ======================= Grid point 2 (3/171) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( -10.439 5.668 5.234) 12.981 0.608 ( -10.397 10.900 4.399) 15.693 1.242 ( -10.466 1.891 16.397) 19.544 1.547 ( 2.386 -2.421 5.039) 6.078 1.628 ( 1.455 -1.364 -4.680) 5.087 1.688 ( 1.117 -0.702 4.893) 5.068 1.719 ( -0.972 0.283 1.667) 1.950 1.799 ( 0.005 1.866 3.205) 3.709 1.913 ( -3.891 -0.412 5.300) 6.588 2.184 ( -15.033 -1.719 21.984) 26.688 2.518 ( -4.082 -0.547 -5.947) 7.234 2.649 ( -1.483 1.225 4.298) 4.709 3.427 ( 1.450 11.792 2.235) 12.089 3.949 ( 5.864 2.348 -2.759) 6.894 4.207 ( -0.024 -0.940 -3.217) 3.352 4.351 ( 4.594 1.206 -2.314) 5.283 4.505 ( -0.386 -0.083 -7.520) 7.531 4.584 ( -7.861 -1.404 -3.974) 8.920 4.835 ( -0.025 -6.487 -1.762) 6.722 5.558 ( -1.187 -6.217 0.414) 6.343 6.327 ( -1.259 7.078 7.345) 10.278 7.401 ( 1.135 -1.298 -10.224) 10.368 7.521 ( -3.102 -0.671 -2.503) 4.042 7.901 ( -17.404 -13.964 -8.971) 24.050 8.128 ( 6.776 0.382 -7.987) 10.481 8.711 ( 4.182 -1.128 -1.653) 4.636 9.936 ( 10.810 6.069 0.638) 12.414 11.552 ( -9.537 0.213 -21.064) 23.123 11.667 ( 3.474 8.409 -30.161) 31.503 12.561 ( 8.491 4.335 12.574) 15.779 12.860 ( 18.663 0.989 23.060) 29.682 12.897 ( -5.029 -6.800 -14.557) 16.836 13.470 ( -2.772 6.893 12.045) 14.152 13.567 ( -3.804 7.451 8.400) 11.856 20.061 ( -2.256 -0.794 -0.146) 2.396 20.202 ( 9.555 1.131 -1.932) 9.813 20.421 ( 10.643 0.239 7.859) 13.232 21.167 ( -15.257 -14.366 8.220) 22.511 21.881 ( -4.382 -7.514 10.085) 13.318 21.988 ( 2.416 -1.717 -1.717) 3.425 22.128 ( -2.296 2.144 1.752) 3.597 22.160 ( 0.574 1.474 1.410) 2.119 ======================= Grid point 3 (4/171) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -8.478 4.069 5.433) 10.861 0.893 ( -8.629 8.496 6.617) 13.799 1.406 ( -1.534 -0.794 1.968) 2.618 1.468 ( -0.059 -1.577 -9.484) 9.615 1.577 ( 4.649 -0.137 4.503) 6.474 1.657 ( 3.668 -0.209 0.449) 3.701 1.727 ( 0.769 -1.636 0.791) 1.973 1.907 ( -4.386 1.841 8.985) 10.167 2.042 ( -3.142 0.812 6.756) 7.495 2.452 ( -0.248 -2.916 -2.784) 4.039 2.675 ( -16.900 1.518 21.438) 27.340 2.808 ( -7.362 3.655 9.662) 12.685 3.530 ( 0.797 8.051 1.937) 8.319 3.845 ( 5.598 1.379 -4.875) 7.550 4.142 ( 1.381 -1.983 -4.263) 4.900 4.263 ( 4.061 -0.127 -2.808) 4.938 4.439 ( 1.049 0.405 -6.089) 6.192 4.727 ( -2.123 -3.189 9.087) 9.862 4.763 ( -6.286 -0.866 -5.000) 8.078 5.512 ( 0.056 -5.251 -0.817) 5.314 6.467 ( -0.988 6.024 6.143) 8.660 7.271 ( 2.774 -0.750 -9.824) 10.235 7.542 ( -3.922 -1.390 -3.063) 5.167 7.845 ( 5.457 -3.892 -8.409) 10.754 8.053 ( -7.571 -2.612 -4.533) 9.203 8.612 ( 5.267 -1.325 -1.679) 5.685 9.817 ( 11.281 6.335 -1.612) 13.038 11.316 ( 3.573 -0.945 -23.257) 23.549 11.714 ( -14.536 7.635 -15.523) 22.595 12.543 ( 11.609 1.072 11.448) 16.339 12.744 ( 3.014 -6.922 -0.965) 7.611 12.833 ( 5.149 -0.212 5.569) 7.587 13.652 ( -3.520 3.991 6.580) 8.463 13.751 ( -3.026 5.437 7.558) 9.790 19.999 ( 7.162 -0.830 -2.527) 7.640 20.144 ( -3.883 1.218 -4.340) 5.950 20.347 ( 9.966 0.356 10.233) 14.289 21.328 ( -12.502 -11.553 8.372) 18.970 21.893 ( 5.867 1.243 -4.143) 7.290 21.968 ( -4.357 -2.917 5.204) 7.388 22.175 ( 0.450 1.365 1.787) 2.294 22.211 ( -3.039 0.646 2.590) 4.044 ======================= Grid point 4 (5/171) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( -5.644 2.232 6.066) 8.581 1.126 ( -4.183 4.420 9.043) 10.900 1.340 ( -1.883 -0.619 -12.986) 13.137 1.412 ( 1.474 -0.314 -3.627) 3.927 1.559 ( 3.192 -0.302 4.809) 5.780 1.601 ( 2.778 0.177 -1.012) 2.962 1.708 ( 0.466 -1.311 0.874) 1.643 2.049 ( -3.255 -0.322 4.125) 5.265 2.141 ( -1.091 2.706 8.933) 9.397 2.379 ( -0.056 -2.859 -7.026) 7.585 3.063 ( -8.905 4.508 13.528) 16.811 3.092 ( -10.432 1.898 15.480) 18.763 3.545 ( 4.379 3.017 -3.728) 6.494 3.728 ( 4.157 0.147 -5.341) 6.769 4.062 ( 1.253 -1.994 -4.583) 5.152 4.214 ( 0.633 -0.882 1.081) 1.532 4.392 ( 1.334 1.395 -1.422) 2.397 4.653 ( 1.314 -4.110 -3.323) 5.446 4.973 ( -8.124 2.291 7.776) 11.477 5.444 ( 1.578 -3.465 -2.312) 4.454 6.565 ( -0.452 3.558 3.287) 4.865 7.155 ( 1.683 -0.413 -6.611) 6.834 7.550 ( -3.805 -2.819 -5.554) 7.299 7.655 ( 8.128 0.828 -2.853) 8.654 8.127 ( -6.726 -1.763 -1.447) 7.102 8.509 ( 4.680 -0.935 -1.195) 4.920 9.704 ( 7.221 4.042 -1.998) 8.513 11.108 ( 1.789 -1.416 -11.971) 12.187 11.905 ( -15.316 8.044 -11.174) 20.595 12.403 ( 14.687 -4.784 8.603) 17.681 12.676 ( -1.280 -2.773 -2.257) 3.797 12.811 ( 3.845 0.095 5.031) 6.333 13.761 ( -1.924 1.849 2.801) 3.868 13.879 ( -1.709 2.818 4.361) 5.466 19.878 ( 4.923 -0.264 -1.305) 5.100 20.187 ( -6.430 0.442 -7.005) 9.519 20.296 ( 8.496 0.253 9.954) 13.089 21.477 ( -10.332 -8.793 7.899) 15.699 21.770 ( 7.465 3.525 -5.607) 9.980 22.038 ( -2.805 -0.961 2.041) 3.599 22.194 ( 0.398 0.998 1.403) 1.767 22.271 ( -1.815 0.040 1.654) 2.456 ======================= Grid point 5 (6/171) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( -0.000 0.000 0.000) 0.000 1.210 ( -0.000 0.000 0.000) 0.000 1.303 ( -0.000 0.000 -0.000) 0.000 1.368 ( -0.000 0.000 0.000) 0.000 1.546 ( -0.000 0.000 -0.000) 0.000 1.578 ( -0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 2.077 ( -0.000 0.000 -0.000) 0.000 2.273 ( 0.000 -0.000 -0.000) 0.000 2.276 ( -0.000 0.000 0.000) 0.000 3.242 ( -0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 -0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.668 ( -0.000 0.000 0.000) 0.000 4.017 ( -0.000 0.000 0.000) 0.000 4.215 ( -0.000 0.000 -0.000) 0.000 4.393 ( -0.000 -0.000 -0.000) 0.000 4.598 ( -0.000 0.000 0.000) 0.000 5.101 ( -0.000 0.000 -0.000) 0.000 5.390 ( -0.000 0.000 0.000) 0.000 6.600 ( -0.000 0.000 0.000) 0.000 7.111 ( -0.000 0.000 0.000) 0.000 7.517 ( -0.000 0.000 -0.000) 0.000 7.603 ( 0.000 0.000 0.000) 0.000 8.170 ( -0.000 0.000 0.000) 0.000 8.457 ( -0.000 0.000 0.000) 0.000 9.657 ( -0.000 0.000 0.000) 0.000 11.036 ( -0.000 0.000 -0.000) 0.000 12.072 ( -0.000 0.000 -0.000) 0.000 12.243 ( 0.000 -0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 12.803 ( -0.000 0.000 -0.000) 0.000 13.796 ( -0.000 0.000 0.000) 0.000 13.925 ( -0.000 0.000 0.000) 0.000 19.833 ( -0.000 0.000 0.000) 0.000 20.213 ( 0.000 0.000 0.000) 0.000 20.271 ( -0.000 0.000 -0.000) 0.000 21.590 ( -0.000 0.000 -0.000) 0.000 21.664 ( -0.000 0.000 0.000) 0.000 22.064 ( -0.000 0.000 -0.000) 0.000 22.202 ( -0.000 0.000 0.000) 0.000 22.292 ( -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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.181 ( 0.000 0.000 11.128) 11.128 0.353 ( 0.000 0.000 18.431) 18.431 0.942 ( 0.000 0.000 52.775) 52.775 1.585 ( 0.000 0.000 5.625) 5.625 1.673 ( 0.000 0.000 24.740) 24.740 1.700 ( -0.000 -0.000 -3.601) 3.601 1.703 ( 0.000 0.000 5.496) 5.496 1.717 ( 0.000 0.000 6.011) 6.011 1.889 ( -0.000 -0.000 -3.212) 3.212 1.976 ( 0.000 0.000 6.824) 6.824 2.386 ( -0.000 -0.000 -5.923) 5.923 2.677 ( 0.000 0.000 1.474) 1.474 3.234 ( 0.000 0.000 3.551) 3.551 3.921 ( -0.000 -0.000 -3.442) 3.442 4.041 ( -0.000 -0.000 -0.286) 0.286 4.227 ( 0.000 0.000 6.862) 6.862 4.432 ( -0.000 -0.000 -6.753) 6.753 4.533 ( -0.000 -0.000 -6.970) 6.970 4.863 ( -0.000 -0.000 -9.613) 9.613 5.607 ( 0.000 0.000 0.519) 0.519 6.242 ( 0.000 0.000 12.137) 12.137 7.148 ( 0.000 0.000 8.245) 8.245 7.474 ( -0.000 -0.000 -2.910) 2.910 7.594 ( -0.000 -0.000 -9.213) 9.213 8.250 ( -0.000 -0.000 -8.305) 8.305 8.781 ( -0.000 -0.000 -3.111) 3.111 10.113 ( 0.000 0.000 8.813) 8.813 11.293 ( -0.000 -0.000 -22.296) 22.296 11.609 ( -0.000 -0.000 -33.275) 33.275 12.692 ( 0.000 0.000 26.712) 26.712 12.809 ( -0.000 -0.000 -15.148) 15.148 13.261 ( 0.000 0.000 13.609) 13.609 13.357 ( 0.000 0.000 8.422) 8.422 13.497 ( 0.000 0.000 0.579) 0.579 20.215 ( 0.000 0.000 2.850) 2.850 20.395 ( 0.000 0.000 1.333) 1.333 20.681 ( 0.000 0.000 2.708) 2.708 21.002 ( 0.000 0.000 3.658) 3.658 22.010 ( 0.000 0.000 4.213) 4.213 22.073 ( -0.000 -0.000 -7.062) 7.062 22.090 ( -0.000 -0.000 -3.183) 3.183 22.364 ( 0.000 0.000 3.879) 3.879 ======================= Grid point 13 (8/171) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( -7.246 10.918 8.737) 15.749 0.536 ( -3.344 2.617 16.149) 16.698 1.354 ( 1.497 1.000 31.364) 31.415 1.615 ( 2.509 -1.691 -1.576) 3.411 1.688 ( -4.086 -0.999 4.615) 6.244 1.719 ( 3.553 0.228 5.601) 6.637 1.819 ( 0.784 -0.037 7.052) 7.095 1.853 ( 4.260 0.710 7.123) 8.330 1.901 ( -3.027 -0.046 14.155) 14.475 2.157 ( -13.582 -1.421 19.771) 24.028 2.385 ( -5.249 1.104 -5.469) 7.660 2.685 ( 0.773 -0.191 4.382) 4.454 3.351 ( 0.425 11.841 2.585) 12.127 3.987 ( 1.072 -1.585 -3.877) 4.324 4.077 ( -9.060 2.758 -11.557) 14.942 4.348 ( -1.585 -0.504 -5.293) 5.549 4.362 ( -4.266 1.678 -0.718) 4.640 4.479 ( -2.524 0.068 -3.926) 4.668 4.793 ( -3.619 -2.632 -10.634) 11.537 5.596 ( 0.328 -2.385 0.010) 2.408 6.368 ( 0.411 2.834 14.100) 14.388 7.312 ( -3.936 -0.227 -3.054) 4.987 7.456 ( -1.967 -0.189 -4.290) 4.724 7.599 ( -15.795 -2.809 -10.125) 18.971 8.130 ( 4.268 0.165 -11.587) 12.349 8.734 ( 1.956 0.233 -4.422) 4.840 10.111 ( 11.386 2.028 8.813) 14.541 11.183 ( -11.640 0.617 -23.784) 26.487 11.348 ( 0.702 5.519 -33.976) 34.428 12.663 ( -0.466 -1.796 -12.749) 12.883 12.869 ( 2.667 -3.300 15.264) 15.843 13.260 ( 8.281 -7.041 13.338) 17.206 13.503 ( 3.526 10.703 8.228) 13.953 13.526 ( -1.830 8.128 9.650) 12.749 20.155 ( 8.153 -0.704 5.653) 9.946 20.336 ( 8.575 0.187 0.410) 8.587 20.634 ( 7.929 -0.186 7.260) 10.752 21.114 ( -11.631 -6.495 5.633) 14.463 21.980 ( -1.008 -6.250 -3.394) 7.183 22.019 ( 1.104 -2.793 -2.086) 3.657 22.095 ( -1.499 2.783 2.862) 4.264 22.270 ( 4.192 -8.992 10.589) 14.511 ======================= Grid point 14 (9/171) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -7.222 9.172 8.127) 14.224 0.778 ( -6.834 4.644 14.166) 16.400 1.447 ( 5.266 1.120 5.086) 7.407 1.505 ( 4.848 -3.500 -1.000) 6.062 1.670 ( 4.355 0.466 -0.243) 4.387 1.778 ( 1.478 -2.766 5.446) 6.284 1.835 ( 5.430 -1.166 12.213) 13.416 1.925 ( -0.790 2.048 13.889) 14.061 2.024 ( -3.078 0.997 3.902) 5.069 2.414 ( -1.596 0.060 -4.939) 5.191 2.626 ( -16.859 -0.069 28.234) 32.884 2.787 ( -4.162 2.457 12.864) 13.742 3.475 ( -1.052 7.439 3.116) 8.134 3.885 ( 6.043 0.612 -4.655) 7.653 4.084 ( -3.013 0.605 -9.818) 10.287 4.279 ( 0.486 -1.620 -5.145) 5.416 4.346 ( -1.705 1.044 -10.513) 10.702 4.627 ( -6.845 1.872 2.481) 7.518 4.750 ( -4.866 -2.480 -2.538) 6.023 5.552 ( 1.704 -2.305 -1.284) 3.141 6.507 ( 0.448 2.476 12.911) 13.154 7.235 ( 2.820 -0.605 -8.985) 9.436 7.452 ( -3.477 -0.163 -6.092) 7.017 7.759 ( -13.717 -4.305 -5.935) 15.553 7.956 ( 4.680 2.282 -10.553) 11.767 8.652 ( 3.570 0.351 -5.284) 6.386 9.977 ( 14.464 2.647 2.819) 14.972 11.102 ( -1.356 2.109 -27.340) 27.455 11.270 ( -17.292 3.910 -17.295) 24.768 12.552 ( -5.118 -3.511 -17.120) 18.210 12.852 ( 8.357 -5.731 12.210) 15.867 13.175 ( 10.626 -4.475 14.055) 18.179 13.639 ( 0.052 7.666 7.582) 10.782 13.723 ( -1.636 8.664 8.872) 12.508 20.082 ( 5.142 -1.558 2.285) 5.839 20.187 ( 10.607 1.487 0.183) 10.712 20.588 ( 8.995 0.211 11.397) 14.521 21.287 ( -12.472 -7.451 5.995) 15.716 21.921 ( 3.731 -0.100 -5.883) 6.967 21.962 ( -3.506 -3.324 -1.505) 5.060 22.184 ( -3.083 0.539 4.391) 5.392 22.246 ( 1.921 -4.428 7.622) 9.022 ======================= Grid point 15 (10/171) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -5.871 4.363 8.393) 11.133 1.058 ( -6.906 6.653 12.384) 15.663 1.325 ( 5.822 -2.024 -5.555) 8.297 1.441 ( 3.982 -0.841 1.668) 4.399 1.613 ( 3.821 1.581 -0.107) 4.136 1.750 ( 2.744 -2.425 3.413) 5.006 1.831 ( 9.834 -1.710 16.701) 19.456 2.028 ( -3.371 -1.069 0.537) 3.577 2.156 ( -3.054 3.629 10.295) 11.335 2.352 ( 1.857 -1.146 -6.058) 6.439 3.031 ( -6.726 4.709 17.231) 19.087 3.071 ( -10.184 1.168 19.450) 21.986 3.543 ( 1.508 3.212 -0.303) 3.561 3.748 ( 5.707 0.290 -6.541) 8.685 4.037 ( -0.707 -0.572 -6.429) 6.493 4.218 ( -0.986 -2.391 -4.199) 4.932 4.322 ( -2.673 2.256 -6.805) 7.652 4.611 ( -1.303 -1.271 -10.014) 10.178 4.938 ( -7.469 1.886 12.469) 14.656 5.480 ( 3.253 -1.237 -2.704) 4.407 6.612 ( 1.006 0.451 10.365) 10.423 7.121 ( 1.079 -0.618 -7.109) 7.217 7.447 ( -4.238 -0.829 -7.904) 9.007 7.706 ( 3.915 -0.648 -7.422) 8.416 7.989 ( -8.487 1.525 -1.470) 8.747 8.547 ( 4.468 0.960 -5.819) 7.399 9.808 ( 10.177 0.584 -0.058) 10.194 10.954 ( -3.240 2.692 -18.969) 19.431 11.477 ( -19.182 4.591 -10.336) 22.268 12.457 ( -8.471 -5.458 -19.427) 21.885 12.742 ( 11.306 -5.986 10.591) 16.608 13.100 ( 10.155 -3.147 13.578) 17.245 13.751 ( 0.532 5.517 4.813) 7.340 13.872 ( 0.232 6.568 6.121) 8.981 19.977 ( 7.632 -0.898 0.050) 7.684 20.098 ( 2.421 1.211 -1.304) 3.005 20.552 ( 10.313 0.367 13.534) 17.020 21.449 ( -11.193 -7.535 5.908) 14.730 21.792 ( 6.385 2.230 -7.608) 10.179 21.995 ( -4.406 -0.871 -1.737) 4.816 22.242 ( 0.841 -2.932 4.907) 5.777 22.262 ( -1.675 -0.101 3.284) 3.688 ======================= Grid point 16 (11/171) ======================= q-point: ( 0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 0.655 1.058 2.186) 2.516 1.202 ( 0.578 0.117 -1.656) 1.758 1.306 ( -4.874 2.379 9.104) 10.598 1.388 ( 3.211 0.976 2.357) 4.101 1.584 ( 2.448 1.738 0.776) 3.101 1.715 ( 3.588 -2.317 4.435) 6.158 1.798 ( 10.311 -1.739 15.614) 18.793 2.052 ( -2.514 -0.808 -2.586) 3.696 2.236 ( 1.883 -1.743 -8.416) 8.799 2.320 ( 0.102 3.901 10.306) 11.020 3.263 ( 0.102 0.284 4.713) 4.722 3.312 ( -5.232 3.236 11.011) 12.613 3.449 ( 7.011 -0.783 -5.421) 8.897 3.656 ( -0.428 -0.265 -2.213) 2.269 4.007 ( -0.795 0.172 -1.375) 1.598 4.199 ( -1.910 -1.270 -2.303) 3.250 4.325 ( -3.184 0.672 -7.779) 8.432 4.551 ( -1.050 1.746 -6.388) 6.705 5.131 ( -1.840 1.139 8.619) 8.886 5.395 ( 3.258 0.815 -3.038) 4.528 6.658 ( 1.564 -2.754 7.329) 7.984 7.093 ( -2.226 -0.095 -0.230) 2.240 7.443 ( -5.604 -1.640 -5.320) 7.899 7.619 ( 2.931 2.665 -2.762) 4.829 8.113 ( -5.726 1.547 0.411) 5.946 8.447 ( 3.425 2.228 -5.762) 7.064 9.700 ( 2.633 -3.198 1.203) 4.314 10.936 ( -5.453 4.635 -8.261) 10.930 11.738 ( -18.854 4.584 -7.258) 20.716 12.370 ( -9.083 -8.635 -16.995) 21.116 12.595 ( 10.614 -4.417 6.446) 13.180 13.039 ( 9.595 -1.698 12.416) 15.783 13.806 ( 2.000 3.670 2.300) 4.771 13.937 ( 2.486 3.868 2.350) 5.164 19.876 ( 4.965 -0.053 1.004) 5.066 20.081 ( -2.226 0.553 -4.844) 5.360 20.510 ( 11.364 0.216 14.143) 18.144 21.577 ( -5.405 -4.102 2.023) 7.080 21.655 ( 3.754 2.383 -5.946) 7.425 22.034 ( -2.802 0.129 -1.954) 3.418 22.234 ( 0.938 -2.589 2.645) 3.818 22.296 ( -0.275 -0.278 1.202) 1.264 ======================= Grid point 17 (12/171) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 3.899 0.741 -5.141) 6.494 1.166 ( 3.950 -3.119 -2.256) 5.515 1.399 ( -4.207 0.400 3.631) 5.572 1.485 ( 1.135 1.914 12.122) 12.325 1.588 ( 0.108 2.011 1.137) 2.312 1.668 ( 6.164 -2.821 7.602) 10.186 1.764 ( 8.081 -0.732 12.310) 14.744 2.045 ( 0.328 0.189 -3.734) 3.754 2.095 ( 1.969 -2.401 -10.624) 11.068 2.416 ( 1.725 3.679 5.988) 7.237 3.140 ( 9.379 -2.586 -9.513) 13.607 3.161 ( 11.223 -2.540 -11.710) 16.417 3.535 ( -4.901 -1.668 5.696) 7.697 3.708 ( -4.583 -0.315 4.797) 6.642 4.044 ( -2.180 1.691 0.781) 2.867 4.184 ( -0.908 -1.227 -2.121) 2.613 4.333 ( -4.479 1.870 -3.606) 6.047 4.564 ( -2.572 4.140 -5.641) 7.455 5.103 ( 9.081 -1.569 1.112) 9.282 5.400 ( -0.807 4.995 0.387) 5.074 6.634 ( 1.920 -6.693 3.438) 7.765 7.168 ( -3.301 0.625 6.027) 6.900 7.535 ( -9.995 -0.545 1.600) 10.137 7.599 ( 2.390 3.697 -0.262) 4.410 8.171 ( 1.546 2.863 -0.408) 3.279 8.418 ( -2.523 3.145 -3.644) 5.434 9.692 ( -4.794 -6.870 3.559) 9.102 11.068 ( -7.647 6.580 3.686) 10.741 11.994 ( -16.607 3.085 -5.998) 17.925 12.270 ( -2.970 -12.631 -4.606) 13.768 12.470 ( 1.340 -1.368 -7.023) 7.279 12.993 ( 8.898 0.330 11.250) 14.347 13.797 ( 3.913 1.700 0.266) 4.274 13.909 ( 4.571 1.048 -1.762) 5.009 19.853 ( -0.062 0.237 2.251) 2.264 20.090 ( -5.156 0.293 -7.122) 8.797 20.450 ( 12.061 -0.255 13.060) 17.779 21.470 ( 9.466 8.051 -10.115) 16.022 21.729 ( -8.293 -4.657 3.953) 10.300 22.038 ( 0.381 0.234 -2.413) 2.454 22.212 ( 0.335 -3.029 0.790) 3.148 22.287 ( 1.426 -0.208 -0.477) 1.518 ======================= Grid point 18 (13/171) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 5.363 0.619 -2.945) 6.150 1.013 ( 6.028 -6.160 -4.189) 9.583 1.462 ( 2.959 0.526 3.900) 4.923 1.538 ( 0.025 -2.590 1.624) 3.057 1.608 ( 3.159 2.936 5.648) 7.107 1.660 ( 1.732 -0.974 9.463) 9.669 1.758 ( 5.346 0.491 10.810) 12.070 1.915 ( 3.983 -2.332 -8.639) 9.794 2.016 ( 0.959 -0.245 -7.507) 7.572 2.438 ( 2.351 3.189 -1.909) 4.398 2.782 ( 16.287 -2.173 -16.806) 23.503 2.907 ( 9.712 -2.392 -5.046) 11.203 3.562 ( -3.130 -7.952 -1.167) 8.626 3.825 ( -4.468 -1.257 5.521) 7.212 4.083 ( -4.837 0.151 -3.598) 6.030 4.240 ( -2.969 1.258 6.518) 7.272 4.420 ( -4.293 2.492 1.690) 5.243 4.583 ( -2.902 4.847 -9.604) 11.142 4.936 ( 10.973 -0.848 1.951) 11.177 5.464 ( 0.677 7.216 0.068) 7.248 6.539 ( 2.217 -9.359 -0.163) 9.620 7.292 ( -3.585 1.105 7.962) 8.802 7.588 ( 2.155 2.313 0.175) 3.166 7.749 ( -10.192 2.834 6.022) 12.173 8.135 ( 5.955 5.079 -0.809) 7.868 8.502 ( -6.234 2.989 -1.261) 7.027 9.762 ( -9.139 -8.669 3.989) 13.213 11.351 ( -9.978 6.656 15.802) 19.838 12.088 ( 7.596 -7.382 8.925) 13.851 12.240 ( -17.282 -5.690 -10.864) 21.191 12.413 ( -9.340 -1.832 -17.065) 19.540 12.976 ( 7.500 3.548 10.282) 13.212 13.718 ( 6.747 -0.546 -1.791) 7.002 13.795 ( 5.513 -1.869 -4.986) 7.665 19.920 ( -5.052 0.280 3.491) 6.148 20.124 ( -7.558 0.112 -7.716) 10.802 20.361 ( 11.904 -0.920 9.833) 15.467 21.317 ( 11.570 12.307 -9.964) 19.611 21.842 ( -7.144 -2.794 2.773) 8.157 21.981 ( 3.876 0.106 -3.385) 5.147 22.187 ( -0.577 -3.446 0.138) 3.497 22.244 ( 2.840 -0.321 -1.306) 3.142 ======================= Grid point 19 (14/171) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 9.350 -4.911 1.195) 10.629 0.810 ( 8.191 -5.960 -3.219) 10.629 1.350 ( 11.321 -0.271 -3.720) 11.920 1.538 ( 1.216 -0.645 4.932) 5.121 1.642 ( 0.886 -0.698 -2.756) 2.979 1.671 ( 2.754 1.818 3.543) 4.842 1.784 ( 2.527 -3.205 2.333) 4.701 1.814 ( 1.902 0.228 7.606) 7.844 1.910 ( 3.165 0.898 -6.109) 6.938 2.215 ( 16.577 1.816 -20.908) 26.744 2.556 ( -0.201 -0.654 0.067) 0.687 2.730 ( 9.396 -0.058 -0.605) 9.416 3.492 ( -1.849 -10.942 -1.679) 11.223 3.910 ( -5.445 -3.330 2.289) 6.781 4.162 ( -5.921 1.500 -0.458) 6.125 4.329 ( -1.974 -2.137 2.911) 4.115 4.514 ( -2.852 1.588 2.349) 4.021 4.608 ( -2.565 6.787 -3.062) 7.875 4.824 ( 6.352 2.006 1.215) 6.771 5.513 ( 2.357 8.607 -0.310) 8.930 6.401 ( 2.315 -10.304 -1.716) 10.699 7.420 ( -3.221 1.801 5.671) 6.766 7.573 ( 2.621 1.170 1.119) 3.081 7.953 ( -1.210 9.964 3.005) 10.478 8.109 ( 1.898 4.264 1.777) 4.994 8.619 ( -6.136 2.553 -0.227) 6.650 9.859 ( -9.879 -7.982 2.204) 12.890 11.747 ( -9.932 5.039 25.079) 27.441 11.945 ( 9.831 -6.742 8.506) 14.645 12.334 ( -19.172 -10.635 -16.553) 27.471 12.421 ( -12.724 -3.988 -14.111) 19.415 13.012 ( 5.265 7.559 8.213) 12.341 13.543 ( 9.496 -3.743 -4.849) 11.300 13.640 ( 5.395 -4.611 -4.119) 8.205 20.057 ( -7.215 0.512 3.683) 8.117 20.193 ( -8.240 -0.072 -4.693) 9.483 20.246 ( 7.835 -1.682 3.219) 8.636 21.179 ( 14.653 16.523 -6.858) 23.125 21.874 ( 6.004 0.451 -3.644) 7.038 21.938 ( -5.011 -0.419 1.224) 5.176 22.167 ( -0.366 -2.936 0.195) 2.966 22.178 ( 2.897 -1.369 -1.090) 3.384 ======================= Grid point 20 (15/171) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 8.848 -12.558 0.000) 15.363 0.596 ( 14.890 -2.334 0.000) 15.072 1.035 ( 23.559 -5.137 0.000) 24.112 1.483 ( 5.294 -0.382 0.000) 5.308 1.616 ( -1.913 1.626 -0.000) 2.511 1.702 ( -0.324 2.409 -0.000) 2.431 1.728 ( 1.226 -2.931 0.000) 3.177 1.856 ( 14.041 2.575 -0.000) 14.275 1.878 ( 0.287 1.109 -0.000) 1.146 1.889 ( -0.083 1.121 -0.000) 1.124 2.593 ( 8.569 0.465 0.000) 8.582 2.597 ( -3.553 -0.032 -0.000) 3.553 3.406 ( -3.320 -13.577 0.000) 13.977 3.974 ( -5.637 -3.200 0.000) 6.482 4.220 ( 0.709 -0.091 0.000) 0.715 4.362 ( -5.981 -1.512 0.000) 6.170 4.569 ( -1.337 0.862 -0.000) 1.591 4.739 ( -1.585 10.644 -0.000) 10.762 4.769 ( 3.015 1.484 -0.000) 3.360 5.552 ( 2.678 8.386 -0.000) 8.803 6.264 ( 2.033 -9.264 0.000) 9.484 7.502 ( -0.925 2.387 -0.000) 2.560 7.555 ( 0.711 -0.321 0.000) 0.780 7.996 ( 17.226 26.259 -0.000) 31.405 8.200 ( -6.875 0.235 -0.000) 6.879 8.721 ( -4.514 1.779 -0.000) 4.852 9.944 ( -8.358 -5.694 0.000) 10.114 11.754 ( 11.531 -1.622 0.000) 11.645 12.146 ( -7.722 5.581 -0.000) 9.528 12.394 ( -29.653 -29.613 0.000) 41.907 12.491 ( -11.306 -2.587 0.000) 11.598 13.075 ( 4.259 10.890 -0.000) 11.693 13.308 ( 9.058 -8.376 0.000) 12.337 13.480 ( 5.141 -7.798 0.000) 9.340 20.072 ( 7.925 0.143 0.000) 7.927 20.233 ( -7.920 -1.123 -0.000) 8.000 20.340 ( -12.339 -0.179 -0.000) 12.340 21.063 ( 19.390 20.492 -0.000) 28.212 21.765 ( 7.531 3.297 -0.000) 8.221 21.998 ( -0.235 2.656 -0.000) 2.667 22.117 ( 0.660 -3.129 0.000) 3.198 22.155 ( -0.706 -2.323 0.000) 2.428 ======================= Grid point 23 (16/171) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.000 0.000 13.201) 13.201 0.618 ( 0.000 0.000 12.493) 12.493 1.631 ( -0.000 -0.000 -2.118) 2.118 1.641 ( 0.000 0.000 0.960) 0.960 1.723 ( 0.000 0.000 29.741) 29.741 1.809 ( -0.000 -0.000 -5.214) 5.214 1.811 ( 0.000 0.000 5.366) 5.366 1.949 ( 0.000 0.000 20.099) 20.099 2.150 ( 0.000 0.000 24.881) 24.881 2.209 ( 0.000 0.000 25.752) 25.752 2.274 ( -0.000 -0.000 -5.253) 5.253 2.747 ( 0.000 0.000 9.196) 9.196 3.317 ( 0.000 0.000 5.960) 5.960 3.821 ( -0.000 -0.000 -8.588) 8.588 4.038 ( 0.000 0.000 0.122) 0.122 4.268 ( -0.000 -0.000 -11.938) 11.938 4.313 ( -0.000 -0.000 -5.759) 5.759 4.451 ( 0.000 0.000 6.830) 6.830 4.668 ( -0.000 -0.000 -12.080) 12.080 5.607 ( -0.000 -0.000 -0.903) 0.903 6.498 ( 0.000 0.000 16.409) 16.409 7.351 ( 0.000 0.000 14.892) 14.892 7.376 ( -0.000 -0.000 -15.314) 15.314 7.393 ( -0.000 -0.000 -6.731) 6.731 8.048 ( -0.000 -0.000 -14.582) 14.582 8.701 ( -0.000 -0.000 -6.122) 6.122 10.326 ( 0.000 0.000 15.627) 15.627 10.834 ( -0.000 -0.000 -28.767) 28.767 11.039 ( -0.000 -0.000 -32.311) 32.311 12.512 ( -0.000 -0.000 -18.820) 18.820 13.108 ( 0.000 0.000 21.472) 21.472 13.484 ( 0.000 0.000 5.963) 5.963 13.511 ( 0.000 0.000 13.918) 13.918 13.512 ( 0.000 0.000 1.150) 1.150 20.281 ( 0.000 0.000 4.618) 4.618 20.426 ( 0.000 0.000 2.041) 2.041 20.755 ( 0.000 0.000 5.958) 5.958 21.093 ( 0.000 0.000 6.795) 6.795 21.925 ( -0.000 -0.000 -9.897) 9.897 22.011 ( -0.000 -0.000 -5.957) 5.957 22.108 ( 0.000 0.000 6.793) 6.793 22.427 ( 0.000 0.000 3.216) 3.216 ======================= Grid point 24 (17/171) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -5.577 7.323 12.204) 15.286 0.768 ( -5.265 2.035 10.958) 12.326 1.566 ( 4.386 -1.533 -2.353) 5.208 1.610 ( 3.840 -0.899 2.034) 4.437 1.715 ( 4.630 1.393 -3.454) 5.942 1.877 ( -2.856 -3.173 6.051) 7.405 1.917 ( -0.776 1.084 3.430) 3.680 2.055 ( 5.760 1.099 23.802) 24.514 2.173 ( 8.370 0.960 10.522) 13.479 2.358 ( -2.643 0.357 2.475) 3.638 2.645 ( -14.701 0.088 34.137) 37.168 2.872 ( -0.676 0.244 19.289) 19.302 3.424 ( -2.154 5.214 5.639) 7.976 3.826 ( -9.564 -0.122 -13.013) 16.150 3.969 ( 7.134 2.039 -4.670) 8.767 4.207 ( -4.188 -1.052 -8.311) 9.366 4.233 ( -0.097 0.232 -11.169) 11.172 4.558 ( -1.330 0.454 -3.940) 4.183 4.639 ( -7.569 1.638 5.255) 9.359 5.578 ( 1.670 -0.366 -2.354) 2.909 6.635 ( 0.788 0.352 15.941) 15.964 7.208 ( 3.173 -0.355 -12.103) 12.517 7.338 ( -2.465 -0.360 -9.629) 9.946 7.578 ( -9.929 -0.334 8.807) 13.276 7.898 ( 3.006 1.427 -14.278) 14.661 8.632 ( 1.835 0.691 -7.332) 7.590 10.236 ( 17.599 0.081 1.378) 17.653 10.799 ( -2.362 2.432 -29.634) 29.827 10.842 ( -19.452 0.491 -10.587) 22.152 12.356 ( -2.777 -2.135 -19.848) 20.155 13.158 ( 6.493 -9.209 14.806) 18.606 13.436 ( 4.508 -7.224 7.039) 11.048 13.611 ( -1.089 9.874 5.472) 11.341 13.692 ( -0.699 9.600 9.057) 13.216 20.246 ( 8.404 -0.681 5.047) 9.827 20.353 ( 10.187 0.394 1.458) 10.298 20.786 ( 3.849 -0.216 10.282) 10.981 21.217 ( -8.771 -2.917 6.612) 11.365 21.859 ( -3.462 -1.425 -9.457) 10.171 21.935 ( 1.897 -0.455 -6.552) 6.836 22.187 ( -1.916 0.327 6.437) 6.724 22.399 ( 2.523 -5.417 4.763) 7.642 ======================= Grid point 25 (18/171) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -6.538 6.539 10.187) 13.758 0.996 ( -8.426 4.082 10.326) 13.939 1.437 ( 7.529 -2.713 -1.606) 8.163 1.540 ( 4.628 -1.606 0.166) 4.901 1.658 ( 4.147 3.598 0.127) 5.492 1.868 ( 5.378 -3.159 5.668) 8.428 1.944 ( -4.934 -0.300 -5.488) 7.385 2.158 ( 8.670 -0.271 18.877) 20.775 2.232 ( 1.761 1.862 18.347) 18.525 2.353 ( 2.275 0.470 -1.853) 2.971 3.084 ( -2.052 2.963 20.267) 20.585 3.100 ( -9.304 0.711 24.453) 26.173 3.531 ( -1.425 1.805 3.267) 3.995 3.782 ( 6.210 0.243 -7.750) 9.934 3.893 ( -6.689 3.022 -12.171) 14.213 4.141 ( -0.857 0.272 -10.263) 10.303 4.217 ( -4.208 -1.348 -3.746) 5.792 4.499 ( -1.594 0.103 -10.904) 11.020 4.891 ( -8.796 3.086 12.248) 15.391 5.514 ( 3.338 0.272 -3.292) 4.696 6.745 ( 1.337 -1.230 14.050) 14.167 7.075 ( 0.791 -0.684 -8.950) 9.011 7.299 ( -4.536 0.352 -11.328) 12.207 7.666 ( -0.991 -3.382 -8.410) 9.118 7.867 ( -4.030 5.251 3.606) 7.537 8.534 ( 3.488 1.537 -8.145) 8.993 9.978 ( 12.212 -1.602 -3.441) 12.788 10.659 ( -5.622 4.513 -23.697) 24.769 11.104 ( -18.941 0.787 -0.731) 18.971 12.219 ( -5.831 -3.885 -20.450) 21.617 13.056 ( 8.580 -9.706 10.148) 16.456 13.356 ( 5.689 -6.210 7.405) 11.214 13.744 ( 1.260 8.563 4.912) 9.952 13.857 ( 0.316 9.550 6.513) 11.564 20.128 ( 9.489 -1.711 2.751) 10.027 20.205 ( 11.186 1.745 1.660) 11.442 20.808 ( 7.201 0.170 13.952) 15.701 21.386 ( -10.808 -5.063 5.697) 13.225 21.783 ( 3.399 0.790 -9.997) 10.589 21.894 ( -4.895 -0.398 -5.397) 7.297 22.266 ( -1.738 -0.318 4.785) 5.101 22.355 ( 2.236 -4.676 4.420) 6.811 ======================= Grid point 26 (19/171) ======================= q-point: ( 0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -5.371 2.895 8.309) 10.309 1.243 ( -7.244 3.322 5.485) 9.674 1.274 ( 8.117 -2.129 0.187) 8.393 1.465 ( 4.077 0.398 1.469) 4.351 1.646 ( 4.251 3.280 4.107) 6.760 1.810 ( 3.930 -2.508 4.279) 6.328 1.953 ( -3.078 0.624 -6.274) 7.016 2.179 ( 9.999 -2.621 21.292) 23.669 2.232 ( 3.641 -1.498 -5.802) 7.012 2.409 ( 3.128 3.919 15.090) 15.901 3.306 ( -0.836 1.096 6.866) 7.003 3.328 ( -2.281 3.254 15.224) 15.734 3.527 ( 6.741 -0.612 -3.095) 7.443 3.629 ( 0.462 -0.321 -4.492) 4.527 3.938 ( -5.380 1.131 -5.400) 7.706 4.105 ( -3.436 3.042 -7.953) 9.182 4.224 ( -2.782 -2.891 -4.308) 5.888 4.443 ( -1.501 2.107 -8.793) 9.166 5.128 ( -5.762 2.917 8.962) 11.047 5.429 ( 4.969 1.036 -3.061) 5.927 6.805 ( 1.916 -4.357 11.193) 12.163 7.045 ( -3.503 -0.328 -0.762) 3.600 7.300 ( -6.825 0.146 -7.956) 10.484 7.570 ( -0.010 0.753 -9.101) 9.132 8.024 ( -4.452 3.653 5.133) 7.714 8.422 ( 4.247 2.723 -8.231) 9.654 9.799 ( 4.463 -5.038 -1.011) 6.806 10.658 ( -8.922 7.832 -15.216) 19.300 11.399 ( -18.039 0.599 1.661) 18.125 12.114 ( -9.029 -5.316 -19.937) 22.523 12.899 ( 9.834 -9.670 7.320) 15.614 13.276 ( 6.281 -4.790 7.101) 10.621 13.818 ( 2.895 6.972 2.974) 8.114 13.956 ( 3.052 7.384 3.687) 8.800 19.994 ( 8.363 -0.603 1.578) 8.532 20.088 ( 6.778 1.068 -0.201) 6.864 20.806 ( 10.225 0.376 15.684) 18.726 21.535 ( -9.150 -5.791 3.507) 11.383 21.633 ( 5.408 2.529 -10.225) 11.841 21.942 ( -5.681 0.507 -3.746) 6.824 22.304 ( 0.253 -2.114 2.486) 3.273 22.320 ( 1.387 -2.288 2.833) 3.897 ======================= Grid point 27 (20/171) ======================= q-point: ( 0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 8.415 -1.835 0.350) 8.620 1.229 ( 0.868 -1.147 1.980) 2.447 1.344 ( -4.616 0.079 0.615) 4.657 1.522 ( -1.889 4.937 4.768) 7.118 1.665 ( 4.418 1.792 10.596) 11.619 1.774 ( 3.261 -1.453 4.106) 5.441 1.951 ( -1.984 1.223 -5.129) 5.633 2.084 ( 5.296 -1.334 -8.773) 10.334 2.156 ( 11.582 -3.742 18.301) 21.979 2.488 ( 4.882 3.254 8.360) 10.213 3.226 ( 7.933 -1.378 -6.026) 10.057 3.271 ( 12.284 -1.155 -9.139) 15.354 3.532 ( -3.437 -0.431 6.703) 7.545 3.681 ( -5.060 -0.608 5.449) 7.461 3.971 ( -3.988 -0.088 -5.255) 6.597 4.169 ( -4.934 3.921 -1.740) 6.538 4.187 ( -1.580 0.085 -3.579) 3.913 4.433 ( -2.070 3.210 -7.353) 8.286 5.248 ( 3.540 1.533 4.887) 6.226 5.346 ( 2.337 3.374 -2.526) 4.819 6.789 ( 2.370 -8.694 6.543) 11.136 7.147 ( -5.159 0.675 5.917) 7.879 7.388 ( -9.937 -0.004 -0.991) 9.986 7.539 ( -1.944 3.878 -6.487) 7.804 8.138 ( -1.271 3.633 1.904) 4.294 8.336 ( 1.787 3.930 -6.061) 7.441 9.731 ( -2.993 -8.415 1.975) 9.147 10.821 ( -12.186 11.256 -5.037) 17.337 11.683 ( -17.279 -0.653 1.344) 17.344 12.058 ( -12.128 -6.396 -17.323) 22.092 12.705 ( 10.657 -9.673 4.939) 15.216 13.198 ( 6.721 -2.719 6.059) 9.449 13.839 ( 4.231 4.977 1.510) 6.705 13.962 ( 6.156 4.769 0.649) 7.815 19.907 ( 4.603 0.224 2.396) 5.194 20.014 ( 1.939 0.514 -3.251) 3.820 20.767 ( 12.717 -0.109 14.856) 19.556 21.445 ( 8.271 6.011 -11.578) 15.447 21.674 ( -9.099 -5.625 2.866) 11.075 21.994 ( -3.501 0.311 -2.206) 4.149 22.268 ( 1.634 -3.501 1.157) 4.033 22.312 ( 1.248 -0.617 0.607) 1.518 ======================= Grid point 28 (21/171) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 6.217 0.299 -0.564) 6.250 1.135 ( 5.982 -4.106 -1.081) 7.336 1.458 ( -6.061 -0.125 2.396) 6.519 1.597 ( 0.266 4.166 0.334) 4.188 1.670 ( 8.128 -2.182 7.198) 11.074 1.780 ( 1.705 0.817 8.553) 8.759 1.911 ( 2.682 -2.097 -7.434) 8.177 1.946 ( 0.498 1.745 -6.684) 6.926 2.079 ( 12.016 -3.006 13.780) 18.528 2.459 ( 5.831 1.803 -0.771) 6.152 2.934 ( 16.678 -1.880 -9.911) 19.491 3.042 ( 10.545 -0.156 -2.845) 10.923 3.567 ( -4.218 -7.164 -0.368) 8.321 3.824 ( -4.809 -0.995 7.595) 9.044 3.961 ( -5.084 -1.809 -7.735) 9.431 4.245 ( -2.564 2.915 7.351) 8.313 4.302 ( -6.271 5.652 -0.561) 8.461 4.420 ( -1.738 3.210 -9.304) 9.994 5.132 ( 11.545 -0.408 1.386) 11.635 5.396 ( -0.548 7.067 -0.461) 7.104 6.689 ( 2.886 -11.372 2.082) 11.916 7.275 ( -4.259 1.029 4.621) 6.368 7.551 ( -4.909 2.343 0.157) 5.442 7.601 ( -8.526 3.658 0.301) 9.282 8.148 ( 3.971 4.804 -1.613) 6.438 8.368 ( -4.626 3.905 -1.523) 6.243 9.751 ( -7.741 -9.904 2.324) 12.783 11.144 ( -15.317 13.214 3.765) 20.576 11.914 ( -16.224 -5.037 -2.781) 17.214 12.083 ( -14.485 -5.793 -9.020) 18.020 12.481 ( 11.030 -9.454 2.227) 14.697 13.128 ( 6.702 0.274 4.084) 7.853 13.809 ( 5.577 2.300 0.907) 6.101 13.873 ( 8.808 2.100 -1.848) 9.241 19.906 ( -0.601 0.338 3.827) 3.889 19.985 ( -2.550 0.377 -5.165) 5.773 20.661 ( 14.268 -1.210 9.126) 16.980 21.294 ( 10.114 10.647 -8.048) 16.746 21.777 ( -8.182 -4.437 1.484) 9.425 22.003 ( 0.551 -0.478 -1.225) 1.425 22.221 ( 0.527 -3.824 0.238) 3.867 22.280 ( 2.357 -0.366 -0.286) 2.402 ======================= Grid point 29 (22/171) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 4.872 1.712 -0.000) 5.164 0.976 ( 7.203 -7.087 0.000) 10.106 1.510 ( 11.531 0.104 0.000) 11.532 1.540 ( -3.691 -1.066 0.000) 3.842 1.636 ( -0.034 2.044 -0.000) 2.044 1.790 ( 5.489 -1.916 0.000) 5.813 1.824 ( 0.776 -3.611 0.000) 3.693 1.897 ( 1.944 2.128 -0.000) 2.883 1.977 ( 8.181 -0.628 0.000) 8.206 2.337 ( 12.370 2.302 -0.000) 12.582 2.626 ( 10.658 -3.016 0.000) 11.076 2.877 ( 10.678 1.136 0.000) 10.738 3.543 ( -3.478 -9.954 0.000) 10.545 3.887 ( -3.317 -3.406 0.000) 4.754 4.031 ( -8.628 -0.049 -0.000) 8.628 4.355 ( 0.028 -0.054 0.000) 0.061 4.438 ( -4.675 3.865 -0.000) 6.066 4.438 ( -5.927 6.758 -0.000) 8.988 4.961 ( 10.947 0.226 0.000) 10.950 5.461 ( 1.470 8.625 -0.000) 8.750 6.541 ( 2.875 -11.744 0.000) 12.091 7.372 ( -3.945 1.732 -0.000) 4.308 7.590 ( 0.753 2.028 -0.000) 2.163 7.804 ( -9.559 5.032 -0.000) 10.803 8.121 ( 4.738 5.699 -0.000) 7.411 8.488 ( -6.716 3.447 -0.000) 7.549 9.804 ( -9.441 -9.370 0.000) 13.302 11.551 ( -16.401 13.509 -0.000) 21.248 12.051 ( -15.809 -10.160 0.000) 18.792 12.227 ( -13.635 -4.668 0.000) 14.411 12.232 ( 9.859 -10.415 0.000) 14.341 13.071 ( 5.956 4.303 -0.000) 7.348 13.710 ( 11.087 -0.602 0.000) 11.103 13.736 ( 5.658 -1.129 0.000) 5.770 19.980 ( -4.920 0.125 -0.000) 4.922 20.028 ( -7.171 0.277 -0.000) 7.176 20.469 ( 13.801 -1.620 0.000) 13.896 21.207 ( 12.333 14.460 -0.000) 19.005 21.866 ( -6.915 -2.556 0.000) 7.373 21.949 ( 4.465 -0.934 0.000) 4.561 22.189 ( -0.802 -3.905 0.000) 3.986 22.232 ( 3.229 -0.415 0.000) 3.255 ======================= Grid point 34 (23/171) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 0.000 0.000 14.255) 14.255 0.798 ( 0.000 0.000 8.974) 8.974 1.584 ( -0.000 -0.000 -2.162) 2.162 1.635 ( -0.000 -0.000 -1.496) 1.496 1.716 ( -0.000 -0.000 -5.383) 5.383 1.812 ( -0.000 -0.000 -5.792) 5.792 2.005 ( 0.000 0.000 9.059) 9.059 2.290 ( 0.000 0.000 7.979) 7.979 2.348 ( 0.000 0.000 24.755) 24.755 2.378 ( 0.000 0.000 2.619) 2.619 2.842 ( 0.000 0.000 39.671) 39.671 3.078 ( 0.000 0.000 26.491) 26.491 3.435 ( 0.000 0.000 7.630) 7.630 3.616 ( -0.000 -0.000 -14.934) 14.934 4.030 ( -0.000 -0.000 -15.456) 15.456 4.052 ( 0.000 0.000 1.796) 1.796 4.135 ( -0.000 -0.000 -11.226) 11.226 4.470 ( -0.000 -0.000 -10.478) 10.478 4.676 ( 0.000 0.000 15.632) 15.632 5.562 ( -0.000 -0.000 -4.655) 4.655 6.774 ( 0.000 0.000 14.517) 14.517 7.102 ( -0.000 -0.000 -14.818) 14.818 7.230 ( -0.000 -0.000 -12.496) 12.496 7.642 ( 0.000 0.000 18.307) 18.307 7.778 ( -0.000 -0.000 -15.817) 15.817 8.574 ( -0.000 -0.000 -8.418) 8.418 10.362 ( -0.000 -0.000 -24.715) 24.715 10.521 ( -0.000 -0.000 -27.218) 27.218 10.637 ( 0.000 0.000 20.103) 20.103 12.169 ( -0.000 -0.000 -20.955) 20.955 13.428 ( 0.000 0.000 15.813) 15.813 13.535 ( 0.000 0.000 1.566) 1.566 13.560 ( 0.000 0.000 2.956) 2.956 13.708 ( 0.000 0.000 8.553) 8.553 20.364 ( 0.000 0.000 4.744) 4.744 20.460 ( 0.000 0.000 1.813) 1.813 20.887 ( 0.000 0.000 9.336) 9.336 21.230 ( 0.000 0.000 8.953) 8.953 21.736 ( -0.000 -0.000 -11.902) 11.902 21.889 ( -0.000 -0.000 -8.060) 8.060 22.231 ( 0.000 0.000 7.248) 7.248 22.468 ( 0.000 0.000 1.412) 1.412 ======================= Grid point 35 (24/171) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( -4.400 4.732 12.371) 13.956 0.927 ( -5.837 2.258 7.728) 9.944 1.530 ( 3.504 -2.430 -1.596) 4.553 1.596 ( 1.816 -2.311 -2.503) 3.861 1.656 ( 2.525 3.954 -3.055) 5.599 1.802 ( -4.285 1.293 -8.245) 9.381 2.034 ( 3.714 -2.557 7.331) 8.606 2.353 ( 2.044 -1.448 -2.630) 3.632 2.386 ( 1.596 2.344 14.655) 14.927 2.498 ( 6.775 0.930 24.484) 25.421 3.207 ( -4.585 0.412 27.391) 27.775 3.271 ( 3.087 0.537 23.043) 23.255 3.523 ( -3.457 -1.006 0.702) 3.668 3.590 ( -8.748 4.585 -8.007) 12.715 3.824 ( 7.319 0.608 -12.553) 14.543 4.043 ( -0.357 0.080 -10.278) 10.285 4.129 ( -5.193 -0.216 -0.343) 5.209 4.391 ( -0.674 -0.020 -9.337) 9.361 4.869 ( -5.291 2.320 15.167) 16.230 5.504 ( 1.383 0.687 -6.460) 6.642 6.869 ( -1.293 -1.201 5.736) 6.001 7.011 ( 0.875 0.576 -3.067) 3.241 7.129 ( -2.991 -0.503 -14.106) 14.428 7.618 ( 0.698 -3.483 -11.962) 12.479 7.843 ( -1.955 4.456 14.072) 14.890 8.489 ( 1.954 1.103 -9.148) 9.420 10.092 ( 8.372 -1.149 -13.113) 15.601 10.342 ( -4.105 2.242 -22.822) 23.296 10.918 ( -11.894 -0.180 15.305) 19.384 11.999 ( -3.038 -1.975 -21.502) 21.806 13.355 ( 6.397 -12.490 7.992) 16.149 13.518 ( 2.330 -5.721 2.929) 6.837 13.705 ( -1.033 9.862 5.468) 11.324 13.818 ( 0.062 9.344 5.198) 10.693 20.324 ( 9.179 -0.831 3.806) 9.971 20.381 ( 10.479 0.804 1.622) 10.634 20.983 ( 0.229 -0.386 12.416) 12.424 21.343 ( -5.833 -2.284 7.851) 10.044 21.672 ( -4.078 0.079 -11.940) 12.617 21.807 ( 0.682 0.201 -8.139) 8.170 22.297 ( -0.754 -0.320 6.082) 6.136 22.448 ( 1.603 -2.864 1.115) 3.466 ======================= Grid point 36 (25/171) ======================= q-point: ( 0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -6.013 3.431 8.359) 10.854 1.133 ( -7.859 4.855 5.620) 10.813 1.414 ( 5.953 -3.853 -1.207) 7.193 1.524 ( 3.275 -0.719 -0.871) 3.464 1.660 ( 0.403 4.112 -0.221) 4.137 1.809 ( -3.303 2.269 -7.285) 8.314 1.994 ( 5.625 -3.357 7.757) 10.153 2.254 ( 3.825 -1.843 -5.945) 7.306 2.499 ( 5.702 0.052 18.703) 19.553 2.603 ( 6.210 2.386 19.165) 20.287 3.355 ( 1.230 0.424 2.851) 3.134 3.423 ( 0.920 2.909 15.577) 15.873 3.590 ( -3.788 -1.927 5.150) 6.677 3.605 ( 7.800 0.930 -12.924) 15.124 3.736 ( -7.945 4.764 -2.327) 9.552 3.975 ( -1.236 1.385 -9.234) 9.419 4.187 ( -3.224 -2.025 -0.049) 3.807 4.334 ( -1.023 1.315 -7.279) 7.467 5.094 ( -5.269 2.444 10.629) 12.113 5.435 ( 1.976 2.026 -5.817) 6.469 6.909 ( -5.135 -3.821 0.070) 6.401 7.034 ( 1.689 0.307 9.725) 9.876 7.100 ( -7.911 0.568 -10.267) 12.974 7.480 ( 0.285 -1.743 -12.245) 12.372 8.018 ( -0.969 4.031 11.313) 12.048 8.382 ( 3.481 2.413 -9.307) 10.225 9.890 ( 4.145 -4.996 -4.931) 8.152 10.310 ( -8.201 7.167 -15.837) 19.221 11.227 ( -13.179 -1.191 13.408) 18.839 11.862 ( -6.570 -3.517 -20.757) 22.055 13.189 ( 7.797 -11.877 5.176) 15.121 13.443 ( 3.002 -6.695 2.986) 7.921 13.810 ( 2.703 9.025 2.714) 9.804 13.942 ( 1.359 9.801 3.340) 10.443 20.169 ( 11.323 -1.390 1.835) 11.555 20.233 ( 11.903 1.665 1.378) 12.098 21.061 ( 5.276 0.066 15.184) 16.074 21.478 ( -8.800 -5.284 3.902) 10.981 21.587 ( 2.720 1.159 -11.759) 12.125 21.796 ( -6.221 1.549 -5.441) 8.409 22.341 ( -0.000 -1.027 3.716) 3.855 22.398 ( 2.049 -3.129 0.830) 3.831 ======================= Grid point 37 (26/171) ======================= q-point: ( 0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -5.466 1.238 5.400) 7.783 1.254 ( 5.502 -3.149 0.064) 6.339 1.292 ( -0.729 1.376 -1.201) 1.967 1.494 ( 0.651 2.674 1.271) 3.031 1.718 ( -1.684 3.391 3.225) 4.974 1.827 ( -2.229 3.266 -4.056) 5.665 1.948 ( 5.411 -3.013 8.139) 10.227 2.104 ( 5.519 -1.751 -8.514) 10.296 2.502 ( 10.486 -2.590 12.917) 16.838 2.652 ( 8.132 2.283 10.088) 13.157 3.297 ( 5.386 -0.241 -2.438) 5.917 3.370 ( 9.805 0.578 -9.980) 14.002 3.568 ( -0.534 0.669 9.457) 9.496 3.665 ( -3.938 -1.205 4.012) 5.749 3.839 ( -5.444 1.282 -5.478) 7.829 3.983 ( -4.735 6.304 -5.138) 9.411 4.187 ( -1.002 -2.060 -0.223) 2.301 4.330 ( -1.375 2.615 -3.838) 4.844 5.234 ( -2.815 2.457 3.214) 4.928 5.384 ( 4.131 2.743 -1.715) 5.247 6.933 ( -2.339 -9.032 2.865) 9.760 7.124 ( -3.780 0.809 7.115) 8.097 7.215 ( -10.133 1.592 0.786) 10.287 7.384 ( -2.775 1.563 -12.209) 12.618 8.135 ( 1.068 4.016 6.670) 7.858 8.283 ( 2.996 3.736 -7.257) 8.694 9.784 ( -1.461 -8.752 -0.404) 8.882 10.459 ( -12.200 12.031 -6.730) 18.409 11.523 ( -13.528 -2.639 11.991) 18.269 11.786 ( -10.457 -4.420 -17.659) 20.993 12.986 ( 8.775 -11.629 2.576) 14.794 13.354 ( 4.243 -5.330 2.131) 7.138 13.853 ( 3.977 7.790 1.024) 8.806 13.999 ( 4.713 7.691 1.238) 9.104 20.020 ( 8.162 -0.369 1.061) 8.239 20.084 ( 9.529 0.999 -0.193) 9.584 21.073 ( 10.341 -0.335 13.869) 17.303 21.408 ( 5.944 3.614 -12.087) 13.946 21.609 ( -9.377 -6.302 2.027) 11.478 21.887 ( -6.696 1.737 -2.081) 7.224 22.334 ( 1.686 -2.683 0.939) 3.305 22.350 ( 1.630 -1.657 0.730) 2.436 ======================= Grid point 38 (27/171) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 8.969 -2.853 0.000) 9.412 1.242 ( 4.503 -1.933 0.000) 4.901 1.356 ( -7.947 0.513 -0.000) 7.964 1.550 ( -0.913 4.855 -0.000) 4.940 1.808 ( -2.705 2.003 -0.000) 3.366 1.861 ( -0.901 2.978 -0.000) 3.111 1.889 ( 10.053 -1.728 0.000) 10.201 1.935 ( 2.842 -2.283 0.000) 3.646 2.358 ( 12.088 -3.172 0.000) 12.497 2.568 ( 9.151 1.042 0.000) 9.210 3.140 ( 13.384 -0.535 0.000) 13.395 3.181 ( 9.914 0.713 0.000) 9.940 3.576 ( -1.981 -5.571 0.000) 5.913 3.790 ( -7.531 -0.585 -0.000) 7.554 3.865 ( -2.758 -0.704 0.000) 2.846 4.127 ( -6.807 7.871 -0.000) 10.406 4.214 ( -2.854 1.282 -0.000) 3.128 4.343 ( -0.013 2.494 -0.000) 2.494 5.298 ( 9.011 1.008 0.000) 9.067 5.315 ( -2.020 5.018 -0.000) 5.409 6.849 ( 1.762 -11.663 0.000) 11.795 7.229 ( -4.164 -0.013 -0.000) 4.165 7.406 ( -10.130 2.815 -0.000) 10.514 7.435 ( -7.523 3.834 -0.000) 8.444 8.157 ( 3.835 4.469 -0.000) 5.889 8.277 ( -1.246 4.149 -0.000) 4.332 9.751 ( -5.612 -10.269 0.000) 11.702 10.774 ( -15.589 14.543 -0.000) 21.320 11.760 ( -12.833 -6.408 0.000) 14.344 11.839 ( -14.893 -2.925 0.000) 15.178 12.749 ( 9.826 -11.091 0.000) 14.818 13.250 ( 5.543 -2.952 0.000) 6.280 13.853 ( 4.675 5.373 -0.000) 7.122 13.966 ( 7.902 5.158 -0.000) 9.437 19.943 ( 2.678 0.366 0.000) 2.703 19.972 ( 5.222 0.471 0.000) 5.244 20.939 ( 13.860 -1.769 0.000) 13.972 21.301 ( 7.868 8.229 -0.000) 11.385 21.701 ( -9.046 -5.858 0.000) 10.777 21.973 ( -3.873 0.442 -0.000) 3.898 22.277 ( 1.918 -3.486 0.000) 3.979 22.317 ( 1.884 -0.813 0.000) 2.052 ======================= Grid point 45 (28/171) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 0.000 0.000 11.160) 11.160 0.930 ( 0.000 0.000 5.990) 5.990 1.563 ( -0.000 -0.000 -0.203) 0.203 1.598 ( -0.000 -0.000 -2.337) 2.337 1.632 ( -0.000 -0.000 -4.103) 4.103 1.676 ( -0.000 -0.000 -7.958) 7.958 2.137 ( 0.000 0.000 6.933) 6.933 2.347 ( -0.000 -0.000 -4.475) 4.475 2.500 ( 0.000 0.000 14.986) 14.986 2.737 ( 0.000 0.000 17.163) 17.163 3.355 ( -0.000 -0.000 -11.953) 11.953 3.420 ( 0.000 0.000 25.055) 25.055 3.495 ( 0.000 0.000 18.661) 18.661 3.562 ( 0.000 0.000 4.718) 4.718 3.757 ( -0.000 -0.000 -13.747) 13.747 3.950 ( -0.000 -0.000 -10.316) 10.316 4.110 ( 0.000 0.000 5.022) 5.022 4.318 ( -0.000 -0.000 -7.202) 7.202 4.957 ( 0.000 0.000 16.525) 16.525 5.438 ( -0.000 -0.000 -9.833) 9.833 6.814 ( -0.000 -0.000 -7.730) 7.730 6.978 ( -0.000 -0.000 -15.267) 15.267 7.086 ( 0.000 0.000 12.423) 12.423 7.528 ( -0.000 -0.000 -13.237) 13.237 7.955 ( 0.000 0.000 17.337) 17.337 8.416 ( -0.000 -0.000 -10.042) 10.042 10.028 ( -0.000 -0.000 -13.051) 13.051 10.127 ( -0.000 -0.000 -17.736) 17.736 11.006 ( 0.000 0.000 22.506) 22.506 11.795 ( -0.000 -0.000 -22.451) 22.451 13.563 ( 0.000 0.000 1.566) 1.566 13.589 ( 0.000 0.000 0.594) 0.594 13.652 ( 0.000 0.000 10.182) 10.182 13.799 ( 0.000 0.000 1.964) 1.964 20.436 ( 0.000 0.000 3.406) 3.406 20.482 ( 0.000 0.000 0.610) 0.610 21.072 ( 0.000 0.000 11.960) 11.960 21.395 ( 0.000 0.000 9.994) 9.994 21.520 ( -0.000 -0.000 -13.141) 13.141 21.738 ( -0.000 -0.000 -9.427) 9.427 22.347 ( 0.000 0.000 5.983) 5.983 22.472 ( -0.000 -0.000 -1.027) 1.027 ======================= Grid point 46 (29/171) ======================= q-point: ( 0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -3.794 2.306 6.253) 7.669 1.027 ( -5.331 3.532 3.218) 7.159 1.506 ( 3.278 -3.904 -1.155) 5.227 1.563 ( 1.452 -1.352 -0.675) 2.095 1.612 ( -0.235 3.176 -1.653) 3.588 1.679 ( -2.808 3.536 -4.658) 6.488 2.157 ( 3.400 -2.171 7.004) 8.083 2.272 ( 2.824 -1.600 -6.031) 6.849 2.657 ( -0.868 1.843 15.510) 15.643 2.805 ( 3.172 0.711 5.236) 6.163 3.327 ( -1.053 1.797 -0.037) 2.083 3.501 ( 3.455 1.479 -9.502) 10.219 3.597 ( -0.378 0.388 7.947) 7.965 3.607 ( 1.229 0.492 6.439) 6.574 3.711 ( 0.281 0.613 6.777) 6.810 3.870 ( -0.603 0.527 -9.987) 10.019 4.174 ( -1.881 -0.451 4.431) 4.835 4.264 ( -0.493 0.086 -5.561) 5.584 5.124 ( -2.383 1.262 14.005) 14.262 5.353 ( -0.462 1.596 -10.922) 11.048 6.812 ( -5.456 -0.181 -1.541) 5.673 6.899 ( -5.461 -0.015 -10.605) 11.929 7.179 ( 1.561 -1.118 13.076) 13.216 7.401 ( 0.917 -1.657 -12.683) 12.824 8.102 ( 0.678 2.173 14.264) 14.444 8.318 ( 1.798 1.563 -10.916) 11.173 9.929 ( 1.699 -2.825 -4.308) 5.425 10.044 ( -4.279 3.749 -10.488) 11.932 11.245 ( -6.079 -1.075 21.200) 22.081 11.622 ( -3.894 -1.654 -22.181) 22.581 13.441 ( 5.896 -12.122 2.365) 13.686 13.547 ( 0.779 -5.999 0.703) 6.090 13.785 ( 1.585 8.130 3.027) 8.819 13.869 ( -0.933 10.227 1.009) 10.319 20.371 ( 10.289 -1.254 1.451) 10.466 20.402 ( 9.794 1.397 0.671) 9.916 21.207 ( -2.476 -0.806 13.422) 13.672 21.427 ( -4.438 -3.643 -8.566) 10.312 21.510 ( -1.741 1.527 3.409) 4.121 21.662 ( -1.501 1.350 -8.217) 8.461 22.388 ( 0.332 -0.838 4.315) 4.408 22.441 ( 1.078 -1.570 -1.804) 2.624 ======================= Grid point 47 (30/171) ======================= q-point: ( 0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -6.373 1.597 -0.000) 6.570 1.183 ( -5.979 5.793 -0.000) 8.325 1.400 ( 5.328 -4.242 0.000) 6.811 1.519 ( 2.621 -0.417 0.000) 2.654 1.659 ( -2.838 2.575 -0.000) 3.832 1.734 ( -2.007 4.764 -0.000) 5.170 2.118 ( 4.955 -3.478 0.000) 6.054 2.146 ( 5.017 -1.574 0.000) 5.258 2.714 ( 6.169 -1.400 0.000) 6.325 2.784 ( 4.359 2.517 -0.000) 5.033 3.361 ( 3.171 1.229 -0.000) 3.400 3.382 ( 2.875 2.014 -0.000) 3.510 3.617 ( -1.101 0.603 -0.000) 1.256 3.642 ( 1.749 1.867 -0.000) 2.559 3.770 ( -1.013 -0.680 0.000) 1.220 3.844 ( -2.656 4.120 -0.000) 4.902 4.194 ( -0.556 -2.260 0.000) 2.327 4.269 ( -1.779 1.964 -0.000) 2.649 5.218 ( -0.972 -0.450 0.000) 1.071 5.351 ( -1.393 4.964 -0.000) 5.156 6.907 ( -8.153 -3.829 0.000) 9.007 6.987 ( -10.574 1.633 -0.000) 10.699 7.251 ( 1.475 -1.435 0.000) 2.058 7.262 ( 0.430 -1.093 0.000) 1.175 8.194 ( 2.951 2.663 -0.000) 3.975 8.229 ( 1.748 3.653 -0.000) 4.049 9.847 ( 0.209 -7.292 0.000) 7.295 10.162 ( -8.606 9.405 -0.000) 12.748 11.514 ( -9.061 -2.616 0.000) 9.431 11.517 ( -8.371 -2.697 0.000) 8.794 13.233 ( 7.458 -12.423 0.000) 14.489 13.468 ( 2.110 -6.849 0.000) 7.167 13.834 ( 3.449 9.091 -0.000) 9.724 13.971 ( 1.555 9.861 -0.000) 9.983 20.186 ( 11.697 -1.211 0.000) 11.760 20.246 ( 12.334 1.597 0.000) 12.437 21.294 ( 4.924 -1.628 0.000) 5.186 21.357 ( 1.169 1.811 -0.000) 2.155 21.550 ( -6.458 -5.894 0.000) 8.743 21.737 ( -7.416 3.704 -0.000) 8.289 22.389 ( 1.447 -2.130 0.000) 2.575 22.389 ( 1.272 -1.666 0.000) 2.096 ======================= Grid point 58 (31/171) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -0.000 -0.000 -1.862) 1.862 0.975 ( 0.000 0.000 1.862) 1.862 1.579 ( -0.000 -0.000 -2.042) 2.042 1.579 ( 0.000 0.000 2.042) 2.042 1.585 ( -0.000 -0.000 -1.925) 1.925 1.585 ( 0.000 0.000 1.925) 1.925 2.251 ( -0.000 -0.000 -6.318) 6.318 2.251 ( 0.000 0.000 6.318) 6.318 2.760 ( -0.000 -0.000 -12.679) 12.679 2.760 ( 0.000 0.000 12.679) 12.679 3.395 ( -0.000 -0.000 -14.886) 14.886 3.395 ( 0.000 0.000 14.886) 14.886 3.651 ( -0.000 -0.000 -1.584) 1.584 3.651 ( 0.000 0.000 1.584) 1.584 3.780 ( -0.000 -0.000 -9.169) 9.169 3.780 ( 0.000 0.000 9.169) 9.169 4.211 ( -0.000 -0.000 -5.953) 5.953 4.211 ( 0.000 0.000 5.953) 5.953 5.227 ( -0.000 -0.000 -14.422) 14.422 5.227 ( 0.000 0.000 14.422) 14.422 6.781 ( -0.000 -0.000 -5.453) 5.453 6.781 ( 0.000 0.000 5.453) 5.453 7.308 ( -0.000 -0.000 -12.694) 12.694 7.308 ( 0.000 0.000 12.694) 12.694 8.220 ( -0.000 -0.000 -13.186) 13.186 8.220 ( 0.000 0.000 13.186) 13.186 9.940 ( -0.000 -0.000 -3.217) 3.217 9.940 ( 0.000 0.000 3.217) 3.217 11.401 ( -0.000 -0.000 -23.137) 23.137 11.401 ( 0.000 0.000 23.137) 23.137 13.586 ( -0.000 -0.000 -0.900) 0.900 13.586 ( 0.000 0.000 0.900) 0.900 13.778 ( -0.000 -0.000 -4.358) 4.358 13.778 ( 0.000 0.000 4.358) 4.358 20.477 ( -0.000 -0.000 -1.333) 1.333 20.477 ( 0.000 0.000 1.333) 1.333 21.291 ( -0.000 -0.000 -13.251) 13.251 21.291 ( 0.000 0.000 13.251) 13.251 21.569 ( -0.000 -0.000 -10.088) 10.088 21.569 ( 0.000 0.000 10.088) 10.088 22.431 ( -0.000 -0.000 -3.684) 3.684 22.431 ( 0.000 0.000 3.684) 3.684 ======================= Grid point 106 (32/171) ======================= q-point: ( 0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.190 ( 0.000 10.122 -0.000) 10.122 0.244 ( 0.000 12.889 -0.000) 12.889 0.507 ( 0.000 26.564 -0.000) 26.564 1.391 ( -0.000 -3.567 0.000) 3.567 1.570 ( 0.000 3.764 -0.000) 3.764 1.645 ( -0.000 -0.868 0.000) 0.868 1.699 ( 0.000 1.919 -0.000) 1.919 1.728 ( -0.000 -1.116 0.000) 1.116 1.890 ( -0.000 -2.356 0.000) 2.356 1.907 ( -0.000 -0.955 0.000) 0.955 2.442 ( -0.000 -0.042 0.000) 0.042 2.644 ( -0.000 -2.238 0.000) 2.238 3.891 ( -0.000 -3.403 0.000) 3.403 4.138 ( 0.000 7.260 -0.000) 7.260 4.194 ( 0.000 3.089 -0.000) 3.089 4.243 ( -0.000 -0.726 0.000) 0.726 4.471 ( -0.000 -2.228 0.000) 2.228 4.579 ( -0.000 -1.900 0.000) 1.900 4.745 ( 0.000 0.647 -0.000) 0.647 5.506 ( -0.000 -8.575 0.000) 8.575 6.239 ( 0.000 10.229 -0.000) 10.229 7.119 ( 0.000 4.379 -0.000) 4.379 7.482 ( -0.000 -1.679 0.000) 1.679 7.575 ( -0.000 -0.384 0.000) 0.384 8.319 ( -0.000 -0.350 0.000) 0.350 8.791 ( -0.000 -1.754 0.000) 1.754 10.107 ( 0.000 7.662 -0.000) 7.662 11.529 ( 0.000 2.419 -0.000) 2.419 12.256 ( -0.000 -0.631 0.000) 0.631 12.756 ( -0.000 -0.292 0.000) 0.292 12.916 ( -0.000 -14.846 0.000) 14.846 12.969 ( -0.000 -0.607 0.000) 0.607 13.410 ( 0.000 9.866 -0.000) 9.866 13.923 ( -0.000 -0.315 0.000) 0.315 19.938 ( 0.000 0.374 -0.000) 0.374 20.183 ( -0.000 -0.657 0.000) 0.657 20.391 ( 0.000 0.776 -0.000) 0.776 20.649 ( -0.000 -0.955 0.000) 0.955 21.484 ( 0.000 0.362 -0.000) 0.362 21.938 ( -0.000 -3.167 0.000) 3.167 22.152 ( 0.000 3.057 -0.000) 3.057 22.165 ( 0.000 2.127 -0.000) 2.127 ======================= Grid point 107 (33/171) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( -8.011 8.498 5.518) 12.917 0.565 ( -8.396 10.766 9.329) 16.536 0.927 ( -13.032 16.045 18.873) 27.990 1.441 ( -3.324 -3.300 10.234) 11.255 1.634 ( 1.218 -2.325 2.216) 3.435 1.658 ( -1.714 0.775 0.012) 1.881 1.705 ( -1.554 0.448 -0.121) 1.622 1.749 ( -2.956 0.849 3.648) 4.772 1.884 ( 1.308 -0.143 -0.638) 1.462 1.899 ( -2.747 -2.098 6.808) 7.635 2.471 ( -4.945 -0.186 -2.503) 5.546 2.620 ( 0.413 -2.745 0.965) 2.939 3.667 ( 13.147 11.525 -1.515) 17.549 4.087 ( 4.264 5.640 -3.062) 7.705 4.229 ( 0.207 2.403 -0.833) 2.552 4.414 ( -0.879 -1.095 -2.747) 3.085 4.463 ( -12.358 -5.984 -9.453) 16.670 4.547 ( -0.549 -2.174 -3.239) 3.939 4.763 ( -0.006 -3.250 2.378) 4.027 5.443 ( -1.300 -9.411 2.990) 9.960 6.357 ( -0.201 11.207 3.146) 11.642 7.381 ( -18.092 -4.389 -6.080) 19.585 7.473 ( -2.965 -2.595 -0.113) 3.942 7.576 ( -3.138 -2.606 1.573) 4.371 8.268 ( 3.956 -0.107 -4.064) 5.672 8.751 ( 2.275 -2.606 -0.453) 3.489 10.146 ( 7.141 10.550 1.201) 12.796 11.563 ( -8.170 3.090 -13.323) 15.931 12.088 ( 6.114 -0.711 -26.101) 26.817 12.650 ( 6.537 0.680 1.968) 6.861 12.833 ( -5.794 -10.844 -7.862) 14.594 12.948 ( 6.551 -1.340 5.860) 8.891 13.536 ( -1.145 8.343 5.789) 10.219 13.633 ( 23.130 16.143 8.438) 29.441 20.016 ( 0.819 -0.629 7.320) 7.392 20.345 ( 4.593 0.277 -1.016) 4.712 20.490 ( -6.696 -6.922 10.752) 14.435 20.607 ( -8.535 -9.782 9.005) 15.799 21.615 ( -9.763 -3.404 6.806) 12.378 21.936 ( -2.761 -3.744 1.192) 4.802 22.167 ( 1.452 3.736 -0.736) 4.075 22.186 ( 0.221 2.908 -0.266) 2.929 ======================= Grid point 108 (34/171) ======================= q-point: ( 0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -8.174 6.230 5.583) 11.696 0.827 ( -5.791 9.806 6.199) 12.966 1.313 ( -5.340 5.956 10.657) 13.325 1.490 ( 0.890 -3.352 0.238) 3.476 1.599 ( 0.767 -1.712 -1.452) 2.372 1.676 ( 0.561 -0.498 4.098) 4.166 1.727 ( 0.778 0.307 -0.434) 0.942 1.850 ( -0.177 3.341 4.143) 5.326 1.910 ( -4.930 0.400 8.160) 9.542 2.162 ( -15.026 -0.656 22.991) 27.474 2.501 ( -3.032 -1.202 -4.885) 5.874 2.654 ( -5.371 -0.480 6.034) 8.092 3.651 ( 4.067 10.872 -0.166) 11.609 4.016 ( 6.650 4.389 -5.557) 9.714 4.189 ( 2.303 -0.760 -3.564) 4.311 4.353 ( 2.722 -1.530 -5.708) 6.506 4.493 ( -1.364 -1.738 -5.048) 5.510 4.568 ( -5.514 0.791 6.024) 8.204 4.725 ( -0.695 -4.174 -2.180) 4.760 5.416 ( -1.660 -8.545 4.409) 9.757 6.491 ( -0.601 9.809 2.613) 10.169 7.368 ( 0.436 -2.137 -7.897) 8.192 7.504 ( -2.575 -0.902 -2.515) 3.710 7.703 ( -12.958 -6.804 1.157) 14.681 8.141 ( 6.235 1.179 -6.730) 9.250 8.670 ( 4.075 -3.245 -0.494) 5.233 10.100 ( 11.993 11.243 -1.893) 16.547 11.548 ( -2.993 -0.954 -24.281) 24.483 11.789 ( -2.256 4.812 -22.195) 22.823 12.623 ( 4.562 1.969 5.351) 7.302 12.709 ( -1.364 -11.064 -9.028) 14.345 12.879 ( 9.304 -0.045 9.486) 13.287 13.634 ( 4.421 8.171 10.039) 13.678 13.710 ( 0.282 7.718 10.305) 12.878 20.047 ( -1.651 -0.562 -1.312) 2.182 20.226 ( 8.338 1.327 -1.868) 8.647 20.426 ( 10.299 0.258 7.835) 12.943 20.867 ( -17.957 -15.338 14.734) 27.835 21.780 ( -8.833 -3.212 5.499) 10.890 21.947 ( -1.132 -2.583 -0.111) 2.823 22.180 ( 0.289 3.296 0.110) 3.311 22.209 ( 0.298 3.324 -0.176) 3.342 ======================= Grid point 109 (35/171) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -5.549 4.095 6.822) 9.700 1.039 ( -4.174 5.744 7.947) 10.657 1.390 ( -0.829 -0.473 -6.136) 6.210 1.458 ( -0.928 0.319 -3.409) 3.548 1.558 ( 1.985 -1.953 1.646) 3.235 1.657 ( 3.466 0.501 -0.204) 3.508 1.709 ( 1.403 -0.158 1.534) 2.084 1.946 ( -3.204 2.098 6.293) 7.367 2.067 ( -2.803 1.915 8.493) 9.147 2.391 ( 0.025 -3.366 -0.645) 3.427 2.713 ( -17.013 2.445 20.888) 27.051 2.862 ( -9.445 2.073 12.191) 15.560 3.686 ( 3.524 8.018 -2.443) 9.093 3.882 ( 7.329 2.511 -7.121) 10.523 4.107 ( 2.397 -1.750 -4.425) 5.329 4.239 ( 2.528 -2.086 -4.231) 5.352 4.448 ( 1.242 0.113 -2.843) 3.104 4.630 ( 2.144 -4.736 3.469) 6.250 4.806 ( -9.156 3.673 5.360) 11.227 5.399 ( -0.670 -6.657 3.677) 7.634 6.589 ( -0.622 6.538 -0.527) 6.589 7.260 ( 2.340 -0.309 -8.275) 8.605 7.508 ( -2.648 -2.123 -2.784) 4.390 7.758 ( -0.751 -4.538 -2.876) 5.425 8.054 ( -0.548 2.099 -2.355) 3.202 8.566 ( 4.981 -3.468 0.206) 6.073 9.965 ( 12.518 9.118 -7.355) 17.144 11.274 ( 5.404 -3.210 -18.007) 19.073 11.865 ( -15.160 7.868 -16.337) 23.635 12.505 ( 8.578 -7.327 -1.767) 11.419 12.641 ( -2.880 -0.963 -2.606) 4.002 12.833 ( 7.214 -0.310 9.113) 11.627 13.732 ( 1.052 3.937 7.547) 8.577 13.849 ( 0.543 4.828 8.875) 10.118 19.984 ( 6.079 -0.647 -2.826) 6.735 20.167 ( -2.609 1.161 -4.382) 5.230 20.353 ( 10.000 0.208 10.205) 14.289 21.103 ( -14.413 -11.470 12.764) 22.410 21.910 ( 0.333 -0.359 -1.714) 1.783 21.915 ( -4.539 -1.603 2.487) 5.418 22.216 ( -0.569 2.403 0.209) 2.478 22.238 ( -0.522 2.449 0.793) 2.627 ======================= Grid point 110 (36/171) ======================= q-point: ( 0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -2.298 2.506 8.580) 9.230 1.179 ( -0.956 1.278 6.598) 6.789 1.345 ( -2.745 0.762 -10.565) 10.942 1.401 ( 2.394 -1.076 -3.825) 4.639 1.536 ( -0.621 -1.486 -0.333) 1.644 1.598 ( 3.416 -0.634 -0.188) 3.479 1.715 ( 0.787 1.849 1.170) 2.325 2.044 ( -2.620 -0.162 2.306) 3.494 2.197 ( -1.006 2.997 10.871) 11.321 2.326 ( 0.510 -2.594 -5.478) 6.083 3.115 ( -10.025 1.980 14.761) 17.953 3.151 ( -8.896 3.121 14.229) 17.068 3.587 ( 8.576 1.351 -10.335) 13.498 3.742 ( 5.276 1.316 -5.940) 8.053 4.022 ( 0.815 -2.242 -2.950) 3.794 4.206 ( -1.007 0.489 0.188) 1.135 4.414 ( 1.842 0.403 -0.339) 1.916 4.585 ( 1.445 -2.603 2.471) 3.869 5.026 ( -6.646 3.238 6.467) 9.822 5.374 ( 0.620 -3.923 2.676) 4.789 6.616 ( -0.738 1.653 -4.438) 4.793 7.172 ( 2.285 2.324 -5.292) 6.215 7.488 ( -2.714 -3.751 -4.704) 6.600 7.666 ( 5.360 0.299 -0.042) 5.369 8.123 ( -4.335 1.351 1.846) 4.902 8.468 ( 4.291 -3.291 1.752) 5.684 9.788 ( 8.224 4.677 -10.051) 13.804 11.081 ( 3.914 -1.355 -4.798) 6.339 12.039 ( -12.602 5.119 -11.016) 17.503 12.290 ( 6.208 -5.960 -3.618) 9.335 12.660 ( -2.960 0.903 -3.431) 4.621 12.807 ( 4.670 -0.497 6.839) 8.296 13.791 ( 1.398 1.209 4.644) 4.998 13.926 ( 1.896 2.132 5.445) 6.147 19.873 ( 4.628 -0.336 -1.170) 4.786 20.197 ( -5.706 0.630 -6.798) 8.897 20.298 ( 8.623 -0.101 9.827) 13.074 21.317 ( -12.304 -7.773 10.738) 18.086 21.836 ( 5.241 3.307 -4.318) 7.553 22.000 ( -4.544 -2.449 1.586) 5.400 22.235 ( 0.471 2.740 -1.364) 3.097 22.279 ( -1.135 0.807 1.121) 1.787 ======================= Grid point 111 (37/171) ======================= q-point: (-0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 4.014 0.654 -0.584) 4.109 1.218 ( -1.616 0.725 -4.401) 4.744 1.266 ( 5.687 -3.282 5.072) 8.297 1.373 ( -1.338 0.360 1.821) 2.289 1.547 ( -2.126 -1.388 -3.986) 4.725 1.560 ( -1.554 -0.090 0.183) 1.568 1.730 ( 0.338 2.239 -0.088) 2.266 2.077 ( -1.070 -0.042 0.089) 1.074 2.227 ( 2.068 -1.904 -8.414) 8.871 2.328 ( -0.006 2.500 10.761) 11.048 3.241 ( 2.993 -0.217 -4.609) 5.500 3.292 ( 6.866 -2.560 -9.304) 11.844 3.433 ( -3.416 1.658 7.043) 8.001 3.662 ( 0.032 -0.568 -1.224) 1.350 4.017 ( -1.457 -0.000 3.046) 3.377 4.236 ( -0.529 2.077 -1.041) 2.383 4.378 ( 1.085 -1.505 -1.429) 2.342 4.612 ( -0.574 1.286 7.277) 7.412 5.101 ( 2.321 0.017 -3.333) 4.062 5.395 ( -1.611 0.486 6.235) 6.459 6.576 ( -1.155 -2.100 -6.814) 7.224 7.143 ( 2.097 2.925 0.216) 3.606 7.489 ( -5.888 -2.381 -0.046) 6.352 7.619 ( 4.413 1.201 3.290) 5.634 8.195 ( 1.371 2.537 3.072) 4.213 8.430 ( -0.807 -2.718 3.914) 4.833 9.661 ( 0.738 0.345 -7.962) 8.004 11.041 ( 2.204 0.508 6.722) 7.093 11.980 ( 11.542 -6.740 3.692) 13.867 12.310 ( -15.994 4.373 -14.298) 21.894 12.690 ( -3.309 2.288 -3.939) 5.631 12.799 ( 1.707 -0.466 3.507) 3.928 13.790 ( 2.816 -0.560 1.971) 3.483 13.921 ( 3.645 -0.311 1.071) 3.812 19.832 ( -0.218 -0.106 0.270) 0.363 20.218 ( 1.843 0.486 1.773) 2.603 20.265 ( -1.032 -0.574 -1.627) 2.010 21.517 ( -10.481 -4.392 8.449) 14.161 21.743 ( 6.880 5.078 -4.727) 9.771 22.034 ( -2.042 -2.570 0.193) 3.289 22.231 ( 0.524 2.412 -3.308) 4.127 22.297 ( 0.157 0.429 -0.265) 0.528 ======================= Grid point 112 (38/171) ======================= q-point: (-0.30 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 8.561 -2.430 -6.024) 10.746 1.042 ( 8.833 -3.468 -7.964) 12.389 1.358 ( -1.200 0.783 13.445) 13.521 1.428 ( -0.576 1.810 1.904) 2.689 1.534 ( -3.678 -2.540 -2.767) 5.257 1.606 ( -4.675 0.388 -2.873) 5.501 1.745 ( -0.207 2.000 -0.773) 2.155 2.057 ( 4.181 0.584 -6.984) 8.161 2.102 ( 0.855 -1.391 -5.208) 5.458 2.424 ( 0.672 1.794 8.402) 8.618 2.973 ( 8.944 -4.299 -13.559) 16.803 3.070 ( 11.031 -0.717 -16.282) 19.680 3.490 ( -0.568 -2.417 -1.493) 2.897 3.731 ( -3.920 0.326 5.651) 6.885 4.094 ( -1.432 1.347 6.494) 6.785 4.227 ( -1.695 0.344 -5.554) 5.817 4.374 ( 0.120 -0.530 5.600) 5.626 4.722 ( -1.711 2.859 7.628) 8.323 4.943 ( 8.409 -0.921 -9.311) 12.580 5.499 ( -1.707 2.191 6.542) 7.107 6.499 ( -0.549 -3.028 -8.935) 9.450 7.174 ( -0.442 1.208 6.343) 6.472 7.590 ( 4.989 1.311 4.970) 7.163 7.639 ( -10.539 -0.631 6.190) 12.239 8.181 ( 8.238 3.431 6.078) 10.797 8.505 ( -5.468 -1.137 4.190) 6.983 9.645 ( -6.546 -2.143 -4.098) 8.015 11.127 ( 0.388 0.528 16.081) 16.094 11.771 ( 14.019 -5.569 8.387) 17.260 12.457 ( -15.221 1.415 -15.476) 21.753 12.742 ( -7.698 3.023 -9.286) 12.435 12.811 ( 1.479 0.447 5.586) 5.796 13.728 ( 4.613 -1.438 -1.030) 4.941 13.829 ( 5.506 -2.262 -3.378) 6.844 19.882 ( -5.294 0.126 1.411) 5.480 20.181 ( 7.644 -0.198 7.732) 10.874 20.291 ( -8.884 -0.304 -10.579) 13.818 21.622 ( 7.967 6.097 -3.785) 10.723 21.714 ( -8.016 -2.259 5.947) 10.234 22.025 ( -0.284 -1.767 -1.110) 2.106 22.210 ( -0.132 2.028 -5.611) 5.968 22.274 ( 2.097 0.245 -1.920) 2.854 ======================= Grid point 113 (39/171) ======================= q-point: (-0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 10.594 -4.363 -6.916) 13.383 0.794 ( 12.324 -1.907 -5.694) 13.709 1.413 ( 4.287 0.086 -0.963) 4.394 1.509 ( -2.881 2.221 9.202) 9.895 1.566 ( -5.789 -1.174 -4.529) 7.444 1.658 ( -4.711 -0.048 -1.824) 5.052 1.759 ( -0.508 1.219 -1.412) 1.933 1.886 ( 5.672 -0.337 -10.388) 11.840 2.034 ( 3.402 -0.174 -5.851) 6.770 2.492 ( 0.408 1.162 5.931) 6.057 2.663 ( 16.517 0.285 -22.966) 28.290 2.737 ( 6.248 -3.236 -8.461) 11.005 3.415 ( 2.361 -3.485 -5.332) 6.794 3.830 ( -4.260 -0.349 3.474) 5.509 4.178 ( -0.363 1.629 6.280) 6.498 4.248 ( -5.315 -1.235 -1.149) 5.576 4.436 ( -0.128 0.019 8.244) 8.245 4.724 ( 9.766 -0.472 -4.361) 10.706 4.833 ( -2.304 2.757 4.011) 5.384 5.585 ( -0.324 2.162 4.744) 5.224 6.382 ( 0.887 -2.588 -10.925) 11.262 7.283 ( -2.657 0.395 10.252) 10.598 7.559 ( 4.340 0.459 3.268) 5.453 7.884 ( -10.590 0.637 10.384) 14.845 8.136 ( 11.989 4.156 11.711) 17.267 8.618 ( -5.490 -0.272 3.464) 6.497 9.736 ( -10.703 -2.221 -1.666) 11.057 11.305 ( -1.704 -1.331 23.200) 23.301 11.613 ( 13.847 -2.581 13.975) 19.842 12.520 ( -11.160 -0.897 -16.717) 20.120 12.796 ( -16.035 -0.064 -23.790) 28.690 12.879 ( 4.178 2.850 15.794) 16.584 13.606 ( 6.594 -0.575 -5.033) 8.315 13.660 ( 6.759 -3.644 -7.077) 10.443 20.012 ( -8.988 0.465 2.204) 9.266 20.126 ( 5.833 -0.611 4.539) 7.416 20.342 ( -9.980 -0.168 -10.301) 14.344 21.491 ( 11.354 4.820 -3.130) 12.725 21.872 ( -7.484 -0.707 4.866) 8.955 22.000 ( -0.268 0.450 -3.608) 3.646 22.182 ( -1.264 1.386 -6.815) 7.068 22.206 ( 4.030 -0.049 -3.062) 5.062 ======================= Grid point 114 (40/171) ======================= q-point: (-0.10 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 11.780 -0.000 -6.272) 13.346 0.537 ( 14.359 -0.000 -4.580) 15.072 1.227 ( 12.292 -0.000 -17.624) 21.487 1.570 ( -3.689 -0.000 -9.455) 10.149 1.641 ( -0.846 0.000 8.900) 8.940 1.700 ( -3.277 -0.000 -5.276) 6.211 1.719 ( 3.105 -0.000 -3.179) 4.444 1.782 ( -0.194 -0.000 -2.096) 2.105 1.918 ( 3.511 -0.000 -4.109) 5.404 2.209 ( 14.543 -0.000 -21.061) 25.594 2.522 ( 5.156 0.000 6.593) 8.370 2.626 ( -0.780 -0.000 -3.796) 3.875 3.297 ( 3.433 -0.000 -4.913) 5.993 3.928 ( -5.639 0.000 1.920) 5.957 4.217 ( 1.993 0.000 2.600) 3.276 4.335 ( -6.438 0.000 1.521) 6.615 4.505 ( 0.843 0.000 8.330) 8.372 4.599 ( 7.652 0.000 7.290) 10.569 4.908 ( -1.552 0.000 3.027) 3.402 5.623 ( 0.920 0.000 2.174) 2.361 6.255 ( 1.536 -0.000 -10.026) 10.143 7.414 ( -1.552 0.000 11.059) 11.167 7.527 ( 3.229 0.000 2.357) 3.998 8.092 ( 16.949 0.000 22.893) 28.485 8.119 ( -8.279 0.000 8.492) 11.860 8.717 ( -4.132 0.000 2.551) 4.856 9.879 ( -10.364 -0.000 -1.366) 10.454 11.549 ( 11.955 0.000 18.947) 22.403 11.550 ( -3.561 0.000 27.210) 27.442 12.503 ( -8.619 -0.000 -20.540) 22.275 12.840 ( -19.277 -0.000 -27.119) 33.272 12.964 ( 5.109 0.000 15.425) 16.249 13.445 ( 6.389 -0.000 -10.915) 12.648 13.452 ( 6.765 -0.000 -8.243) 10.663 20.070 ( 2.870 -0.000 -0.462) 2.906 20.190 ( -10.500 0.000 2.133) 10.714 20.419 ( -10.811 -0.000 -7.860) 13.367 21.311 ( 12.831 -0.000 -1.792) 12.955 21.978 ( -3.072 -0.000 -8.097) 8.660 22.006 ( -5.288 0.000 2.692) 5.934 22.106 ( 5.038 -0.000 -3.216) 5.977 22.159 ( -1.879 -0.000 -5.669) 5.973 ======================= Grid point 115 (41/171) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 12.113 0.000 -0.000) 12.113 0.573 ( 16.449 0.000 -0.000) 16.449 0.992 ( 28.239 0.000 -0.000) 28.239 1.480 ( 3.192 0.000 -0.000) 3.192 1.634 ( -2.221 -0.000 0.000) 2.221 1.695 ( 1.041 0.000 -0.000) 1.041 1.728 ( -0.200 -0.000 0.000) 0.200 1.895 ( 0.179 0.000 -0.000) 0.179 1.895 ( -0.326 -0.000 0.000) 0.326 1.901 ( 12.586 0.000 -0.000) 12.586 2.586 ( -4.549 -0.000 0.000) 4.549 2.597 ( 8.759 0.000 -0.000) 8.759 3.249 ( 2.549 0.000 -0.000) 2.549 3.945 ( -5.207 -0.000 0.000) 5.207 4.218 ( 3.332 0.000 -0.000) 3.332 4.348 ( -8.717 -0.000 0.000) 8.717 4.577 ( -1.306 -0.000 0.000) 1.306 4.784 ( 3.328 0.000 -0.000) 3.328 4.854 ( -6.570 -0.000 0.000) 6.570 5.642 ( 2.210 0.000 -0.000) 2.210 6.166 ( 2.234 0.000 -0.000) 2.234 7.530 ( -3.060 -0.000 0.000) 3.060 7.546 ( 2.839 0.000 -0.000) 2.839 8.196 ( -8.072 -0.000 0.000) 8.072 8.387 ( -0.162 -0.000 0.000) 0.162 8.738 ( -4.499 -0.000 0.000) 4.499 9.903 ( -7.572 -0.000 0.000) 7.572 11.784 ( 9.509 0.000 -0.000) 9.509 11.904 ( -9.878 -0.000 0.000) 9.878 12.201 ( -4.372 -0.000 0.000) 4.372 12.464 ( -14.419 -0.000 0.000) 14.419 13.222 ( -1.505 -0.000 0.000) 1.505 13.232 ( 13.867 0.000 -0.000) 13.867 13.362 ( 10.750 0.000 -0.000) 10.750 20.074 ( 8.832 0.000 -0.000) 8.832 20.222 ( -8.745 -0.000 0.000) 8.745 20.338 ( -12.588 -0.000 0.000) 12.588 21.296 ( 13.078 0.000 -0.000) 13.078 21.822 ( 0.628 0.000 -0.000) 0.628 22.033 ( -5.408 -0.000 0.000) 5.408 22.077 ( 5.514 0.000 -0.000) 5.514 22.133 ( -0.720 -0.000 0.000) 0.720 ======================= Grid point 117 (42/171) ======================= q-point: ( 0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 0.000 7.099 15.033) 16.625 0.438 ( 0.000 17.478 6.569) 18.672 1.001 ( 0.000 6.642 47.402) 47.865 1.558 ( 0.000 -2.436 11.470) 11.725 1.678 ( -0.000 -1.741 -3.407) 3.826 1.702 ( 0.000 -0.223 5.329) 5.333 1.703 ( 0.000 2.616 18.867) 19.047 1.731 ( 0.000 1.104 5.006) 5.127 1.884 ( -0.000 -0.165 -2.273) 2.279 1.951 ( 0.000 -2.250 6.690) 7.058 2.398 ( -0.000 0.554 -4.837) 4.869 2.655 ( 0.000 -2.225 1.500) 2.684 3.743 ( -0.000 26.941 -25.417) 37.039 3.873 ( -0.000 -2.993 -2.194) 3.711 4.111 ( -0.000 5.448 -1.999) 5.803 4.274 ( 0.000 4.871 7.699) 9.110 4.416 ( -0.000 -1.772 -6.913) 7.136 4.518 ( -0.000 -1.531 -6.536) 6.713 4.796 ( -0.000 -4.658 -3.936) 6.098 5.540 ( 0.000 -6.441 3.138) 7.164 6.322 ( 0.000 7.703 9.126) 11.942 7.181 ( 0.000 3.242 6.958) 7.677 7.462 ( -0.000 -1.253 -2.403) 2.710 7.554 ( -0.000 -2.174 -5.624) 6.030 8.248 ( -0.000 -0.132 -8.050) 8.051 8.776 ( -0.000 -1.169 -2.297) 2.577 10.162 ( 0.000 6.148 6.993) 9.311 11.311 ( -0.000 1.894 -22.696) 22.775 11.780 ( -0.000 8.235 -43.622) 44.392 12.742 ( 0.000 2.587 11.270) 11.563 12.754 ( -0.000 -6.355 -14.195) 15.552 13.113 ( 0.000 -8.406 11.606) 14.331 13.511 ( 0.000 9.561 9.731) 13.642 13.733 ( 0.000 16.075 -5.265) 16.915 20.210 ( 0.000 -0.542 2.967) 3.016 20.381 ( 0.000 -2.421 2.590) 3.545 20.671 ( 0.000 -1.002 2.658) 2.841 20.706 ( 0.000 -24.000 31.065) 39.256 21.737 ( 0.000 -19.863 19.405) 27.769 21.965 ( 0.000 -3.623 2.659) 4.494 22.135 ( -0.000 3.502 -1.647) 3.870 22.172 ( 0.000 0.400 2.507) 2.538 ======================= Grid point 118 (43/171) ======================= q-point: ( 0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -1.959 6.459 13.125) 14.759 0.686 ( -3.772 15.587 6.991) 17.494 1.392 ( 2.194 2.953 25.898) 26.158 1.569 ( 4.400 -2.816 -1.630) 5.473 1.658 ( -2.017 -2.317 5.121) 5.972 1.721 ( 2.071 -0.265 4.727) 5.167 1.820 ( 3.350 0.381 8.988) 9.599 1.882 ( 0.606 2.183 3.237) 3.952 1.904 ( -2.114 0.757 17.501) 17.645 2.131 ( -14.523 -0.956 21.677) 26.110 2.405 ( -4.225 0.803 -4.019) 5.886 2.664 ( -1.745 -1.944 5.291) 5.900 3.621 ( 8.043 12.820 -3.335) 15.498 3.978 ( -3.799 1.146 -8.550) 9.426 4.140 ( -1.075 3.626 -6.219) 7.278 4.325 ( -0.312 -1.971 -8.271) 8.508 4.401 ( -2.280 1.071 -5.372) 5.933 4.501 ( -4.709 3.351 5.388) 7.902 4.726 ( -1.334 -3.440 -6.161) 7.181 5.515 ( 0.172 -5.887 4.276) 7.278 6.463 ( 0.817 6.879 8.947) 11.315 7.304 ( -2.505 -0.719 -3.345) 4.241 7.452 ( -1.769 0.006 -2.536) 3.092 7.544 ( -10.417 -2.158 -3.898) 11.330 8.138 ( 3.817 0.773 -10.438) 11.141 8.725 ( 1.924 -1.618 -2.970) 3.892 10.199 ( 11.117 7.474 4.734) 14.208 11.206 ( -10.787 1.898 -24.377) 26.725 11.471 ( 0.808 5.903 -37.741) 38.208 12.580 ( -3.080 -7.583 -15.168) 17.235 12.808 ( 3.680 -2.417 9.420) 10.398 13.112 ( 3.171 -7.311 10.731) 13.366 13.686 ( 0.762 8.374 9.974) 13.046 13.775 ( 7.883 13.915 7.195) 17.536 20.132 ( 8.238 -1.625 5.766) 10.186 20.342 ( 7.004 0.395 0.635) 7.043 20.627 ( 6.720 -0.500 7.442) 10.039 20.892 ( -14.243 -15.097 16.052) 26.238 21.776 ( -6.801 -9.947 7.778) 14.343 21.959 ( -0.961 -3.494 0.385) 3.644 22.155 ( 0.240 3.458 0.300) 3.479 22.197 ( 0.421 0.908 2.741) 2.918 ======================= Grid point 119 (44/171) ======================= q-point: ( 0.40 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -3.801 5.413 9.833) 11.850 0.954 ( -4.952 11.789 9.429) 15.887 1.430 ( 5.621 -3.813 -3.815) 7.791 1.474 ( 4.116 1.002 5.633) 7.048 1.657 ( 3.242 -2.149 3.614) 5.310 1.736 ( 1.479 -1.124 4.026) 4.434 1.819 ( 6.232 -0.490 10.456) 12.182 1.958 ( 1.043 1.331 9.559) 9.708 2.060 ( -3.951 2.867 7.657) 9.081 2.402 ( 0.443 -1.281 -3.821) 4.054 2.639 ( -17.643 1.456 28.776) 33.786 2.827 ( -7.722 1.784 14.858) 16.839 3.633 ( 2.586 8.475 -2.247) 9.141 3.905 ( 5.037 1.440 -6.401) 8.272 4.098 ( 1.417 0.875 -6.893) 7.091 4.235 ( 0.162 -2.838 -7.364) 7.894 4.370 ( -3.147 1.015 -8.725) 9.331 4.640 ( -2.096 -1.183 -6.191) 6.643 4.747 ( -5.686 3.391 12.230) 13.907 5.490 ( 1.365 -4.330 3.358) 5.647 6.569 ( 1.070 3.878 6.540) 7.678 7.221 ( 2.090 -0.835 -9.098) 9.372 7.447 ( -2.529 -0.337 -5.221) 5.811 7.683 ( -9.859 -3.532 -2.666) 10.806 8.011 ( 3.292 3.671 -6.722) 8.337 8.642 ( 3.294 -1.692 -3.071) 4.811 10.054 ( 14.975 5.532 -3.912) 16.436 11.130 ( -1.375 1.189 -22.583) 22.656 11.378 ( -16.933 6.802 -22.274) 28.794 12.436 ( -6.721 -9.096 -17.936) 21.204 12.765 ( 7.789 -3.091 7.919) 11.529 13.076 ( 5.622 -5.248 10.812) 13.269 13.793 ( 4.089 7.501 8.362) 11.954 13.894 ( 2.610 8.966 9.727) 13.484 20.054 ( 5.199 -1.291 1.923) 5.692 20.214 ( 9.777 1.323 0.378) 9.873 20.592 ( 8.541 0.166 11.310) 14.174 21.099 ( -13.870 -11.625 11.230) 21.299 21.864 ( -7.538 -5.029 2.006) 9.281 21.921 ( 1.458 -0.866 -2.995) 3.441 22.199 ( -0.791 1.419 2.388) 2.888 22.225 ( 0.115 1.454 2.508) 2.901 ======================= Grid point 120 (45/171) ======================= q-point: ( 0.50 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -3.958 3.836 7.568) 9.362 1.202 ( -3.780 7.358 10.060) 13.024 1.278 ( 4.541 -2.242 -5.222) 7.274 1.435 ( 3.924 -0.429 0.545) 3.985 1.617 ( 2.936 -1.429 2.449) 4.081 1.722 ( 4.243 -0.187 4.868) 6.460 1.800 ( 8.623 -1.367 13.329) 15.934 2.013 ( -2.775 -0.495 0.039) 2.819 2.226 ( -2.617 3.544 9.518) 10.488 2.328 ( 2.578 -1.173 -2.981) 4.112 3.092 ( -10.090 1.896 20.086) 22.557 3.123 ( -7.843 3.983 17.019) 19.158 3.599 ( 4.803 2.286 -7.091) 8.864 3.765 ( 7.054 1.717 -6.799) 9.946 4.022 ( 0.712 -1.082 -4.503) 4.686 4.174 ( -2.081 -1.836 -3.554) 4.510 4.360 ( -2.762 1.254 -7.512) 8.101 4.594 ( -0.664 -0.132 -5.010) 5.056 4.992 ( -5.489 3.781 13.069) 14.671 5.449 ( 2.752 -2.152 1.659) 3.867 6.609 ( 1.090 -0.858 3.164) 3.455 7.124 ( 0.642 1.169 -6.702) 6.834 7.425 ( -2.439 -1.550 -6.878) 7.460 7.688 ( -0.720 -1.145 -4.788) 4.976 8.043 ( -3.757 4.137 1.521) 5.792 8.548 ( 3.789 -1.133 -2.724) 4.802 9.827 ( 10.915 1.357 -8.128) 13.676 11.010 ( -1.523 3.380 -12.700) 13.230 11.580 ( -20.456 5.920 -14.781) 25.923 12.301 ( -7.938 -10.796 -17.923) 22.379 12.665 ( 8.789 -2.197 4.757) 10.232 13.037 ( 6.428 -3.264 10.952) 13.112 13.854 ( 4.094 4.986 6.380) 9.073 13.990 ( 3.717 5.698 6.989) 9.753 19.963 ( 6.634 -0.617 0.317) 6.670 20.119 ( 3.213 0.956 -1.505) 3.674 20.559 ( 10.340 0.275 13.590) 17.079 21.290 ( -12.538 -8.818 8.813) 17.682 21.834 ( 3.667 1.996 -6.316) 7.571 21.954 ( -6.206 -2.990 0.446) 6.903 22.224 ( 0.761 0.826 1.247) 1.678 22.268 ( -1.086 0.728 2.261) 2.612 ======================= Grid point 121 (46/171) ======================= q-point: ( 0.60 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 2.369 1.878 -1.282) 3.284 1.189 ( -0.223 -0.992 -0.964) 1.401 1.323 ( -0.913 -0.696 -0.165) 1.160 1.438 ( 1.421 3.716 11.226) 11.910 1.588 ( 1.906 -1.468 2.630) 3.564 1.685 ( 7.796 -0.740 9.018) 11.944 1.772 ( 6.525 -0.739 9.883) 11.866 2.040 ( -2.842 -0.427 -2.369) 3.725 2.207 ( 2.676 -1.187 -7.792) 8.324 2.395 ( 0.533 3.838 11.128) 11.783 3.266 ( 2.275 0.099 0.947) 2.467 3.343 ( 2.950 -0.621 -0.364) 3.037 3.453 ( 1.981 1.573 3.554) 4.362 3.650 ( 0.951 -0.263 -3.893) 4.017 4.013 ( -1.939 0.399 1.488) 2.477 4.181 ( -2.341 -0.367 -3.505) 4.231 4.341 ( -2.063 0.651 -6.057) 6.431 4.592 ( -1.984 2.575 -2.598) 4.161 5.151 ( 1.643 0.953 7.363) 7.604 5.419 ( 1.155 1.764 2.218) 3.060 6.578 ( 0.658 -5.357 0.148) 5.399 7.124 ( -1.162 3.149 0.249) 3.365 7.405 ( -5.404 -2.417 -3.751) 7.008 7.662 ( 1.038 1.805 -1.398) 2.508 8.164 ( -3.539 3.857 3.226) 6.148 8.470 ( 2.552 -0.029 -2.096) 3.302 9.643 ( 3.511 -2.648 -6.025) 7.459 11.028 ( -3.456 5.082 -1.485) 6.323 11.824 ( -19.920 4.181 -12.110) 23.684 12.166 ( -5.869 -11.955 -13.128) 18.700 12.552 ( 5.369 -0.782 -2.034) 5.795 13.009 ( 6.619 -1.368 10.940) 12.859 13.867 ( 4.919 2.688 3.946) 6.855 14.002 ( 5.828 2.907 3.249) 7.278 19.875 ( 4.639 -0.094 1.349) 4.832 20.091 ( -1.872 0.514 -4.898) 5.269 20.513 ( 11.707 0.062 14.170) 18.380 21.467 ( -11.035 -6.016 6.770) 14.275 21.738 ( 5.356 4.971 -7.293) 10.324 22.006 ( -4.413 -2.867 -1.166) 5.390 22.216 ( 1.508 0.454 -0.529) 1.661 22.296 ( -0.089 0.282 0.829) 0.880 ======================= Grid point 122 (47/171) ======================= q-point: (-0.30 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 4.873 1.445 -4.116) 6.540 1.094 ( 5.264 -3.833 -5.648) 8.620 1.391 ( -5.576 -1.042 3.000) 6.417 1.529 ( 4.249 2.554 8.866) 10.158 1.586 ( 1.511 -2.256 8.729) 9.141 1.643 ( 7.318 0.095 10.185) 12.542 1.760 ( 4.140 0.278 6.627) 7.819 2.051 ( -0.720 0.315 -2.982) 3.084 2.064 ( 3.838 -0.717 -10.336) 11.048 2.480 ( 2.080 3.041 5.343) 6.490 3.067 ( 9.798 -4.464 -8.257) 13.568 3.130 ( 12.032 -1.051 -12.313) 17.247 3.497 ( 0.125 -2.046 -0.965) 2.266 3.713 ( -4.734 0.599 6.167) 7.798 4.074 ( -2.481 1.512 -3.181) 4.308 4.167 ( -1.863 -0.749 0.731) 2.137 4.373 ( -2.993 2.081 1.157) 3.824 4.638 ( -3.936 3.551 -5.644) 7.743 5.077 ( 10.339 -1.116 1.927) 10.576 5.495 ( -1.250 4.908 4.373) 6.692 6.498 ( 0.776 -7.178 -2.539) 7.653 7.197 ( -1.734 1.993 5.564) 6.160 7.519 ( -11.137 -1.006 3.306) 11.661 7.657 ( 1.876 2.376 1.058) 3.207 8.251 ( 1.959 5.370 2.794) 6.363 8.456 ( -2.767 0.713 -0.933) 3.006 9.580 ( -3.737 -4.854 -1.053) 6.216 11.177 ( -5.305 4.760 9.217) 11.652 12.014 ( -3.841 -5.951 -1.273) 7.196 12.059 ( -15.388 -3.972 -15.067) 21.899 12.458 ( -1.249 -0.117 -11.633) 11.700 13.004 ( 5.961 0.807 11.127) 12.649 13.820 ( 6.437 0.758 1.476) 6.647 13.923 ( 8.025 0.466 -0.784) 8.077 19.856 ( -0.173 0.109 2.464) 2.472 20.095 ( -4.889 0.282 -7.079) 8.607 20.444 ( 12.538 -0.314 12.849) 17.956 21.607 ( -0.532 3.381 -1.459) 3.721 21.666 ( -2.336 1.029 -0.801) 2.676 22.011 ( -2.000 -3.064 -2.781) 4.596 22.181 ( 1.522 -0.265 -1.994) 2.522 22.288 ( 1.545 0.237 -0.639) 1.689 ======================= Grid point 123 (48/171) ======================= q-point: (-0.20 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 9.072 -6.029 -4.040) 11.618 0.941 ( 7.501 0.384 -3.215) 8.170 1.472 ( -2.167 -0.509 3.533) 4.176 1.510 ( 5.142 0.451 2.000) 5.536 1.639 ( 0.513 -0.861 4.245) 4.362 1.655 ( 4.428 1.269 14.043) 14.779 1.766 ( 3.035 0.378 6.689) 7.355 1.887 ( 5.475 -0.472 -9.986) 11.398 2.019 ( 1.758 0.404 -6.067) 6.330 2.486 ( 0.810 1.792 -3.034) 3.615 2.748 ( 17.186 -1.387 -18.682) 25.422 2.856 ( 9.154 -2.649 0.565) 9.547 3.434 ( 0.241 -5.174 -4.527) 6.880 3.813 ( -2.392 -0.254 3.401) 4.166 4.087 ( -6.807 0.246 -5.558) 8.791 4.252 ( -1.333 0.134 7.776) 7.891 4.460 ( -2.663 1.583 3.767) 4.877 4.663 ( -4.092 3.352 -9.772) 11.112 4.930 ( 9.827 0.056 4.044) 10.627 5.588 ( 0.246 5.544 3.419) 6.518 6.379 ( 1.699 -7.082 -4.754) 8.698 7.312 ( -3.531 0.874 8.230) 8.998 7.619 ( 1.754 1.002 0.336) 2.047 7.783 ( -11.547 0.935 7.724) 13.924 8.268 ( 5.751 7.790 2.886) 10.104 8.539 ( -6.414 0.953 0.249) 6.489 9.637 ( -7.995 -4.562 2.835) 9.632 11.424 ( -7.266 0.879 18.712) 20.093 11.920 ( 5.350 -7.377 7.433) 11.760 12.181 ( -15.895 -2.018 -16.475) 22.982 12.389 ( -8.463 -0.756 -20.313) 22.018 13.041 ( 4.017 2.976 11.291) 12.348 13.707 ( 9.046 -0.455 -1.202) 9.137 13.758 ( 9.393 -1.803 -4.316) 10.494 19.925 ( -5.171 0.156 3.452) 6.220 20.126 ( -7.368 0.105 -7.716) 10.669 20.346 ( 12.464 -0.627 9.478) 15.671 21.539 ( 9.191 10.517 -5.409) 14.978 21.795 ( -8.760 -1.965 3.215) 9.536 21.959 ( 0.517 -2.498 -5.463) 6.029 22.143 ( 0.211 -1.009 -1.727) 2.011 22.243 ( 3.374 0.131 -1.440) 3.671 ======================= Grid point 124 (49/171) ======================= q-point: (-0.10 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 10.544 -6.329 -3.324) 12.739 0.782 ( 12.899 -0.275 1.985) 13.053 1.368 ( 15.830 1.178 -2.772) 16.114 1.523 ( 0.714 -0.689 3.242) 3.390 1.621 ( -1.034 -0.735 -4.823) 4.987 1.713 ( 0.550 1.293 3.319) 3.604 1.737 ( 2.636 -1.024 -3.266) 4.321 1.819 ( 2.607 0.179 12.004) 12.285 1.928 ( 3.029 0.629 -3.992) 5.051 2.254 ( 17.678 1.852 -20.782) 27.347 2.529 ( -3.612 -1.699 -1.304) 4.199 2.726 ( 9.617 -0.227 3.192) 10.136 3.329 ( 1.765 -5.154 -3.519) 6.486 3.871 ( -4.211 -1.004 1.257) 4.508 4.194 ( -8.450 1.654 -0.958) 8.663 4.282 ( 1.447 -2.239 1.568) 3.092 4.535 ( -1.911 0.587 3.002) 3.607 4.704 ( -3.007 2.741 2.428) 4.738 4.861 ( 2.857 1.436 -1.281) 3.445 5.643 ( 1.713 4.389 1.805) 5.046 6.248 ( 2.352 -5.064 -4.146) 6.955 7.443 ( -3.865 0.624 6.268) 7.390 7.588 ( 3.180 0.413 0.635) 3.269 8.025 ( -11.077 0.553 4.834) 12.099 8.305 ( 4.652 10.120 5.773) 12.546 8.649 ( -6.150 0.699 0.522) 6.212 9.766 ( -8.775 -2.109 3.536) 9.692 11.704 ( -9.412 -8.038 21.455) 24.769 11.860 ( 9.843 -0.254 13.777) 16.934 12.206 ( -10.978 -2.477 -19.358) 22.391 12.364 ( -14.155 -1.843 -21.385) 25.711 13.126 ( 1.749 3.756 10.604) 11.385 13.499 ( 12.744 -0.668 -6.602) 14.368 13.558 ( 9.132 -3.454 -3.349) 10.322 20.066 ( -8.447 0.303 3.624) 9.197 20.194 ( -8.650 0.180 -5.485) 10.244 20.219 ( 9.866 -0.949 3.655) 10.564 21.443 ( 11.753 9.161 -2.096) 15.048 21.872 ( 1.065 -0.623 -6.914) 7.024 21.929 ( -7.278 -0.362 1.557) 7.452 22.128 ( -0.699 -0.913 -0.639) 1.315 22.167 ( 4.934 -0.195 -1.245) 5.092 ======================= Grid point 128 (50/171) ======================= q-point: ( 0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 15.463 9.183) 17.984 0.662 ( 0.000 4.455 11.759) 12.575 1.606 ( -0.000 -2.287 -2.854) 3.657 1.640 ( 0.000 -0.384 0.258) 0.463 1.690 ( 0.000 -2.776 21.810) 21.986 1.809 ( -0.000 0.046 -3.140) 3.140 1.849 ( 0.000 3.329 10.496) 11.011 1.964 ( 0.000 1.632 19.166) 19.235 2.143 ( 0.000 -0.690 23.889) 23.899 2.185 ( 0.000 -1.553 25.406) 25.453 2.313 ( -0.000 2.825 -1.479) 3.189 2.729 ( 0.000 -1.850 9.644) 9.819 3.518 ( 0.000 16.918 -4.216) 17.436 3.805 ( -0.000 -1.006 -6.278) 6.358 4.076 ( -0.000 3.551 -1.834) 3.997 4.254 ( -0.000 -1.369 -11.500) 11.582 4.323 ( -0.000 0.447 -8.832) 8.843 4.490 ( 0.000 4.497 10.601) 11.516 4.655 ( -0.000 -1.262 -10.608) 10.683 5.583 ( 0.000 -2.500 1.254) 2.797 6.526 ( 0.000 3.001 13.805) 14.127 7.315 ( 0.000 -2.757 3.036) 4.101 7.376 ( -0.000 0.073 -14.006) 14.006 7.429 ( 0.000 2.639 3.463) 4.354 8.056 ( -0.000 0.891 -13.556) 13.585 8.708 ( -0.000 0.226 -5.582) 5.587 10.345 ( 0.000 2.629 13.780) 14.029 10.846 ( -0.000 1.270 -29.033) 29.060 11.098 ( -0.000 5.133 -35.242) 35.614 12.468 ( -0.000 -4.839 -18.488) 19.110 12.990 ( 0.000 -7.504 14.573) 16.392 13.300 ( 0.000 -9.960 9.000) 13.424 13.694 ( 0.000 9.949 10.675) 14.592 13.727 ( 0.000 16.224 2.670) 16.442 20.279 ( 0.000 -0.250 4.793) 4.800 20.418 ( 0.000 -0.825 2.213) 2.362 20.744 ( 0.000 -1.145 5.857) 5.968 21.013 ( 0.000 -8.517 11.514) 14.322 21.848 ( -0.000 -8.508 -3.907) 9.363 21.980 ( -0.000 -2.777 -2.689) 3.866 22.137 ( 0.000 2.604 3.469) 4.337 22.288 ( 0.000 -8.035 8.316) 11.564 ======================= Grid point 129 (51/171) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.755 9.839 8.487) 13.112 0.856 ( -5.390 9.252 10.666) 15.114 1.517 ( 4.234 -3.240 -3.167) 6.201 1.588 ( 3.747 -1.583 0.226) 4.074 1.749 ( 3.620 1.267 1.069) 3.982 1.806 ( -1.366 -3.471 6.549) 7.537 1.932 ( 1.768 0.728 1.946) 2.728 2.095 ( 3.025 3.103 21.419) 21.853 2.185 ( 9.076 -0.132 13.363) 16.154 2.370 ( -2.196 0.764 0.609) 2.403 2.654 ( -14.380 1.053 34.991) 37.845 2.875 ( -3.744 -0.003 20.414) 20.754 3.574 ( 2.842 9.099 -1.698) 9.683 3.836 ( -6.710 1.367 -8.469) 10.891 4.030 ( 4.689 3.940 -7.736) 9.867 4.173 ( -2.560 -2.359 -8.509) 9.194 4.242 ( -1.001 0.868 -9.827) 9.916 4.559 ( -0.969 -0.454 -8.853) 8.918 4.710 ( -5.865 5.954 12.361) 14.922 5.561 ( 1.623 -1.513 0.604) 2.299 6.648 ( 1.225 1.108 11.846) 11.960 7.192 ( 3.451 -1.408 -10.294) 10.948 7.329 ( -4.480 -0.293 -10.618) 11.528 7.566 ( -6.473 -0.922 4.623) 8.007 7.950 ( 2.011 4.122 -8.952) 10.059 8.646 ( 1.735 0.340 -6.073) 6.325 10.247 ( 17.723 1.377 -2.926) 18.016 10.861 ( -14.369 2.087 -11.273) 18.383 10.877 ( -7.597 4.971 -30.286) 31.618 12.274 ( -3.158 -6.773 -19.459) 20.845 12.986 ( 4.503 -7.618 9.986) 13.343 13.268 ( 1.238 -8.898 6.943) 11.354 13.838 ( 3.754 10.569 7.079) 13.263 13.898 ( 0.686 12.172 7.428) 14.276 20.226 ( 9.599 -1.353 5.177) 10.990 20.365 ( 8.558 0.807 1.906) 8.804 20.777 ( 2.597 -0.797 9.964) 10.328 21.107 ( -8.549 -8.671 10.078) 15.806 21.798 ( -5.769 -4.723 -4.478) 8.697 21.919 ( 1.142 -1.288 -4.844) 5.141 22.200 ( -1.114 1.153 4.571) 4.844 22.286 ( 0.961 -4.156 6.160) 7.493 ======================= Grid point 130 (52/171) ======================= q-point: ( 0.50 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -3.662 5.125 7.731) 9.973 1.129 ( -5.958 9.546 9.350) 14.630 1.375 ( 6.791 -3.447 -2.255) 7.943 1.514 ( 3.595 -1.538 -0.325) 3.924 1.717 ( 5.115 2.077 3.383) 6.475 1.807 ( 2.917 -2.770 4.549) 6.072 1.937 ( -2.719 -0.115 -1.901) 3.319 2.154 ( 10.998 -0.581 17.460) 20.644 2.255 ( 0.346 0.815 8.335) 8.382 2.377 ( 2.768 2.056 6.972) 7.779 3.121 ( -9.162 1.549 24.347) 26.060 3.148 ( -4.998 3.436 21.205) 22.055 3.576 ( 1.930 2.774 -3.927) 5.181 3.799 ( 5.960 1.545 -6.575) 9.008 3.949 ( -2.062 2.666 -10.124) 10.670 4.120 ( -2.686 -2.436 -5.593) 6.666 4.220 ( -3.139 1.678 -7.643) 8.431 4.505 ( -2.072 0.635 -8.751) 9.015 4.974 ( -6.203 5.539 12.934) 15.377 5.516 ( 3.327 -0.210 -0.505) 3.372 6.706 ( 1.816 -2.943 8.636) 9.302 7.066 ( 0.746 -0.150 -7.609) 7.647 7.306 ( -4.427 0.438 -10.752) 11.636 7.606 ( -3.913 -2.935 -7.056) 8.586 7.980 ( -1.057 6.680 4.132) 7.925 8.561 ( 3.091 0.924 -6.201) 6.991 9.945 ( 13.045 -1.715 -8.708) 15.778 10.768 ( -5.301 6.759 -20.087) 21.846 11.130 ( -20.099 2.005 -4.569) 20.709 12.106 ( -6.415 -8.283 -19.965) 22.547 12.895 ( 7.689 -6.943 6.779) 12.381 13.224 ( 2.218 -6.880 6.396) 9.652 13.916 ( 4.954 8.519 5.821) 11.445 14.033 ( 2.762 8.866 6.436) 11.299 20.101 ( 9.267 -1.104 3.144) 9.848 20.233 ( 11.039 1.264 1.596) 11.225 20.810 ( 6.401 -0.011 13.809) 15.220 21.256 ( -11.198 -8.388 7.415) 15.834 21.791 ( -0.649 -0.446 -8.782) 8.817 21.879 ( -4.049 -0.890 -2.727) 4.962 22.257 ( -0.617 -0.721 3.777) 3.895 22.287 ( 0.837 -1.485 4.010) 4.357 ======================= Grid point 131 (53/171) ======================= q-point: ( 0.60 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -2.274 2.557 6.475) 7.323 1.213 ( 5.015 -2.758 -2.012) 6.067 1.318 ( -0.173 2.115 1.524) 2.613 1.491 ( -0.369 2.803 5.346) 6.048 1.691 ( 5.949 1.200 7.144) 9.374 1.779 ( 2.745 -0.598 3.147) 4.218 1.960 ( -3.553 0.269 -4.545) 5.776 2.130 ( 11.503 -2.551 19.591) 22.861 2.208 ( 4.316 -0.936 -4.211) 6.102 2.485 ( 2.978 4.108 14.088) 14.974 3.318 ( 2.183 0.358 2.991) 3.720 3.396 ( -0.491 2.860 11.763) 12.115 3.511 ( 3.034 -0.850 0.735) 3.236 3.639 ( 4.802 1.592 -6.803) 8.478 3.953 ( -4.082 0.681 -4.536) 6.140 4.129 ( -3.342 -0.998 -0.927) 3.609 4.216 ( -3.248 2.325 -7.832) 8.792 4.487 ( -2.394 2.600 -7.044) 7.881 5.198 ( -3.426 4.265 9.944) 11.349 5.451 ( 4.617 1.355 -1.203) 4.960 6.685 ( 1.498 -7.936 4.696) 9.343 7.066 ( -3.040 2.227 1.062) 3.915 7.297 ( -5.379 -0.508 -6.904) 8.767 7.582 ( -3.986 0.498 -7.967) 8.922 8.113 ( -1.833 5.662 6.216) 8.606 8.470 ( 3.517 2.048 -6.061) 7.301 9.703 ( 5.787 -4.904 -5.822) 9.562 10.819 ( -8.595 9.043 -9.854) 15.898 11.412 ( -19.507 0.793 -3.691) 19.869 11.975 ( -9.535 -9.421 -18.982) 23.237 12.747 ( 9.610 -6.225 4.249) 12.213 13.184 ( 3.122 -4.536 6.129) 8.239 13.945 ( 5.833 6.077 4.129) 9.381 14.084 ( 5.693 5.987 3.951) 9.158 19.987 ( 7.653 -0.172 2.060) 7.927 20.104 ( 7.262 0.694 -0.430) 7.308 20.813 ( 10.199 0.262 15.549) 18.598 21.410 ( -11.183 -7.017 5.264) 14.213 21.690 ( 3.365 3.111 -10.395) 11.361 21.933 ( -5.792 -1.404 -2.169) 6.343 22.256 ( 1.716 -1.764 1.912) 3.116 22.306 ( 0.031 -0.142 1.936) 1.942 ======================= Grid point 132 (54/171) ======================= q-point: (-0.30 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 6.649 0.287 -1.125) 6.750 1.185 ( 4.256 -3.423 -0.620) 5.496 1.336 ( -5.553 -0.791 1.843) 5.904 1.605 ( -1.575 3.453 3.560) 5.203 1.689 ( 6.653 1.165 12.014) 13.782 1.765 ( 2.541 -0.007 3.947) 4.694 1.972 ( -2.302 1.190 -5.008) 5.638 2.066 ( 5.197 -0.679 -5.836) 7.844 2.095 ( 13.054 -2.448 17.905) 22.293 2.544 ( 5.037 2.654 4.965) 7.554 3.189 ( 8.241 -2.553 -4.105) 9.555 3.247 ( 13.092 -1.196 -7.724) 15.247 3.516 ( 2.158 -1.163 -1.991) 3.158 3.686 ( -5.259 1.004 7.538) 9.246 3.969 ( -2.753 0.227 -8.023) 8.486 4.170 ( -2.309 0.261 4.881) 5.406 4.273 ( -5.282 4.530 -1.992) 7.238 4.492 ( -2.624 3.012 -7.993) 8.936 5.264 ( 8.184 0.278 5.118) 9.657 5.438 ( -1.304 6.153 0.078) 6.290 6.602 ( 1.597 -10.592 1.811) 10.864 7.177 ( -3.856 2.167 4.909) 6.608 7.384 ( -10.344 -0.446 1.681) 10.489 7.600 ( -3.944 2.536 -5.816) 7.471 8.229 ( -0.194 5.703 3.693) 6.797 8.402 ( 1.434 2.950 -4.884) 5.883 9.589 ( -1.535 -6.559 -0.771) 6.780 11.024 ( -11.436 10.154 0.752) 15.312 11.658 ( -18.371 -2.033 -6.539) 19.606 11.904 ( -12.362 -9.573 -14.345) 21.219 12.565 ( 10.599 -5.138 1.761) 11.910 13.152 ( 3.530 -2.008 5.533) 6.863 13.921 ( 6.966 3.626 2.312) 8.187 14.039 ( 8.803 3.392 1.189) 9.509 19.912 ( 4.462 0.255 2.729) 5.237 20.022 ( 2.064 0.418 -3.360) 3.966 20.764 ( 13.189 -0.166 13.951) 19.199 21.541 ( -4.846 -0.522 -0.804) 4.940 21.599 ( -0.741 2.330 -5.566) 6.079 21.973 ( -3.917 -2.534 -1.952) 5.057 22.216 ( 2.366 -1.838 0.217) 3.003 22.306 ( 1.130 0.000 0.327) 1.177 ======================= Grid point 133 (55/171) ======================= q-point: (-0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 5.018 2.266 -0.795) 5.563 1.026 ( 7.297 -6.702 -2.139) 10.136 1.439 ( -6.014 -1.672 1.893) 6.523 1.642 ( 3.074 0.578 3.855) 4.964 1.684 ( 6.733 3.185 4.974) 8.956 1.776 ( 1.949 -1.447 6.023) 6.494 1.889 ( 4.788 0.160 -8.460) 9.722 1.983 ( 1.539 1.898 -4.364) 5.001 2.037 ( 11.163 -1.518 15.529) 19.185 2.477 ( 4.248 0.096 -3.767) 5.679 2.903 ( 18.408 -1.392 -10.603) 21.288 3.036 ( 10.028 -0.513 2.334) 10.309 3.443 ( -0.869 -5.732 -3.632) 6.841 3.816 ( -2.337 0.039 5.164) 5.668 3.937 ( -5.276 -0.734 -7.181) 8.941 4.294 ( -2.444 2.020 9.615) 10.124 4.392 ( -5.216 3.820 0.658) 6.499 4.478 ( -3.263 2.884 -10.654) 11.510 5.127 ( 11.816 -0.176 2.174) 12.015 5.538 ( -1.106 7.720 0.905) 7.851 6.476 ( 2.251 -10.912 -0.442) 11.150 7.294 ( -4.625 0.906 4.108) 6.252 7.583 ( -7.152 1.196 3.273) 7.956 7.655 ( -7.478 2.019 -1.082) 7.821 8.271 ( 4.046 7.574 -0.287) 8.592 8.428 ( -4.762 2.405 -1.162) 5.460 9.601 ( -6.384 -5.961 1.892) 8.937 11.359 ( -13.799 9.013 10.896) 19.758 11.772 ( -15.771 -8.492 -15.228) 23.510 11.966 ( -14.527 -6.370 -2.771) 16.102 12.362 ( 11.046 -3.678 -1.256) 11.710 13.138 ( 2.869 0.808 4.117) 5.083 13.841 ( 8.298 1.120 0.806) 8.412 13.903 ( 11.716 1.153 -1.009) 11.815 19.912 ( -0.481 0.220 3.818) 3.855 19.992 ( -2.425 0.329 -5.049) 5.611 20.642 ( 14.678 -0.780 7.930) 16.702 21.503 ( 6.685 11.275 -5.578) 14.245 21.701 ( -9.614 -3.463 1.534) 10.333 21.964 ( -0.791 -3.851 -1.746) 4.302 22.163 ( 1.585 -2.089 -0.371) 2.649 22.279 ( 2.464 0.170 -0.351) 2.495 ======================= Grid point 134 (56/171) ======================= q-point: (-0.10 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 8.943 -8.281 0.000) 12.188 0.920 ( 6.481 2.042 -0.000) 6.795 1.515 ( -4.915 -1.311 0.000) 5.087 1.549 ( 12.149 3.406 -0.000) 12.618 1.668 ( 2.681 0.455 -0.000) 2.720 1.757 ( 0.777 -2.964 0.000) 3.064 1.759 ( 6.619 -0.929 0.000) 6.684 1.937 ( 2.986 1.858 -0.000) 3.517 1.973 ( 6.508 -0.123 0.000) 6.509 2.386 ( 10.419 3.193 -0.000) 10.897 2.558 ( 10.606 -4.389 0.000) 11.479 2.895 ( 10.630 0.758 0.000) 10.657 3.379 ( -0.553 -6.844 0.000) 6.866 3.843 ( -1.666 -1.406 0.000) 2.181 4.034 ( -9.632 0.285 -0.000) 9.636 4.345 ( 2.587 -0.729 0.000) 2.688 4.494 ( -3.478 2.028 -0.000) 4.026 4.551 ( -8.412 4.708 -0.000) 9.640 4.968 ( 9.908 0.453 0.000) 9.919 5.616 ( 0.850 7.328 -0.000) 7.377 6.338 ( 2.507 -9.221 0.000) 9.556 7.396 ( -4.777 0.845 -0.000) 4.851 7.620 ( 1.429 1.135 -0.000) 1.825 7.856 ( -12.729 1.082 -0.000) 12.775 8.284 ( 4.101 9.700 -0.000) 10.531 8.537 ( -6.798 1.784 -0.000) 7.028 9.680 ( -8.265 -3.885 0.000) 9.133 11.770 ( -13.883 -15.499 0.000) 20.808 11.781 ( -15.416 11.076 -0.000) 18.982 12.117 ( -13.840 -6.971 0.000) 15.496 12.141 ( 12.313 -1.867 0.000) 12.453 13.147 ( 1.320 3.396 -0.000) 3.644 13.698 ( 14.120 -0.593 0.000) 14.133 13.710 ( 9.100 -1.407 0.000) 9.208 19.982 ( -5.030 0.138 -0.000) 5.031 20.032 ( -6.774 0.113 -0.000) 6.775 20.446 ( 14.148 -0.859 0.000) 14.174 21.477 ( 9.272 13.556 -0.000) 16.424 21.823 ( -8.698 -1.786 0.000) 8.879 21.903 ( 2.008 -4.263 0.000) 4.713 22.132 ( -0.152 -1.903 0.000) 1.909 22.230 ( 3.854 0.106 0.000) 3.855 ======================= Grid point 137 (57/171) ======================= q-point: ( 0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 10.380 0.000 9.929) 14.364 0.741 ( 6.800 0.000 14.941) 16.416 1.435 ( -5.387 0.000 5.836) 7.942 1.546 ( -4.532 -0.000 -1.093) 4.662 1.659 ( -5.087 -0.000 -1.848) 5.412 1.811 ( -2.145 0.000 4.938) 5.384 1.855 ( -7.606 0.000 15.224) 17.019 1.896 ( 4.964 0.000 13.115) 14.023 2.016 ( 2.528 0.000 3.154) 4.042 2.409 ( 2.712 -0.000 -4.994) 5.683 2.632 ( 16.799 0.000 27.384) 32.126 2.755 ( 1.975 0.000 12.432) 12.588 3.398 ( 3.916 0.000 6.453) 7.548 3.880 ( -6.666 -0.000 -3.805) 7.675 4.077 ( 5.105 -0.000 -11.523) 12.603 4.293 ( -0.771 -0.000 -3.266) 3.356 4.337 ( 1.076 -0.000 -11.400) 11.451 4.607 ( 8.113 0.000 4.158) 9.117 4.781 ( 5.162 -0.000 -7.650) 9.228 5.574 ( -1.783 -0.000 -3.275) 3.729 6.483 ( -0.340 0.000 15.431) 15.434 7.241 ( -2.903 -0.000 -8.744) 9.214 7.453 ( 3.816 -0.000 -6.585) 7.611 7.811 ( 17.604 -0.000 -8.611) 19.598 7.930 ( -7.439 -0.000 -12.600) 14.632 8.645 ( -3.661 -0.000 -5.926) 6.966 9.953 ( -14.501 0.000 5.263) 15.427 11.072 ( 1.895 -0.000 -27.701) 27.766 11.237 ( 17.136 -0.000 -15.258) 22.944 12.582 ( 4.027 -0.000 -15.777) 16.283 12.926 ( -9.703 0.000 15.149) 17.990 13.210 ( -14.213 0.000 15.847) 21.287 13.587 ( 2.921 0.000 7.091) 7.669 13.602 ( 5.969 0.000 7.476) 9.566 20.101 ( -4.241 0.000 2.829) 5.098 20.168 ( -11.880 -0.000 -0.315) 11.884 20.586 ( -9.152 0.000 11.413) 14.629 21.358 ( 12.094 0.000 3.634) 12.628 21.919 ( -5.184 -0.000 -6.638) 8.423 21.989 ( 1.816 -0.000 -3.995) 4.388 22.179 ( 3.723 0.000 5.041) 6.266 22.314 ( -4.382 0.000 8.206) 9.303 ======================= Grid point 139 (58/171) ======================= q-point: ( 0.40 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.000 11.573 11.640) 16.414 0.837 ( 0.000 3.900 8.938) 9.752 1.552 ( -0.000 -2.859 -2.599) 3.864 1.612 ( -0.000 -2.085 -3.105) 3.740 1.749 ( -0.000 3.029 -3.292) 4.473 1.821 ( -0.000 0.210 -2.532) 2.541 1.973 ( 0.000 -2.267 6.220) 6.621 2.333 ( 0.000 -1.746 12.340) 12.463 2.341 ( 0.000 4.389 8.786) 9.822 2.381 ( 0.000 0.503 14.313) 14.322 2.848 ( 0.000 0.791 39.730) 39.738 3.068 ( 0.000 -1.000 26.691) 26.710 3.520 ( 0.000 8.089 3.324) 8.745 3.639 ( -0.000 2.356 -13.045) 13.256 4.029 ( -0.000 -0.085 -14.615) 14.615 4.059 ( -0.000 0.469 -0.253) 0.533 4.142 ( -0.000 0.954 -9.980) 10.025 4.468 ( -0.000 -0.350 -10.466) 10.471 4.728 ( 0.000 5.354 15.389) 16.294 5.566 ( -0.000 0.345 -3.560) 3.576 6.766 ( 0.000 -0.824 12.768) 12.795 7.117 ( -0.000 1.655 -14.100) 14.197 7.204 ( -0.000 -2.738 -11.686) 12.002 7.596 ( 0.000 -3.559 6.047) 7.016 7.850 ( -0.000 6.170 -4.687) 7.748 8.590 ( -0.000 1.358 -7.928) 8.043 10.371 ( -0.000 0.931 -24.833) 24.850 10.508 ( -0.000 -0.989 -18.252) 18.278 10.674 ( 0.000 3.545 9.049) 9.719 12.129 ( -0.000 -4.320 -20.731) 21.176 13.205 ( 0.000 -12.019 10.193) 15.759 13.411 ( 0.000 -10.201 4.015) 10.963 13.798 ( 0.000 15.851 5.106) 16.653 13.854 ( 0.000 9.943 7.472) 12.438 20.364 ( 0.000 0.069 4.886) 4.887 20.456 ( 0.000 -0.417 2.010) 2.053 20.874 ( 0.000 -1.409 9.155) 9.263 21.191 ( 0.000 -4.330 9.749) 10.667 21.718 ( -0.000 -1.945 -9.787) 9.978 21.885 ( -0.000 -0.490 -7.371) 7.388 22.233 ( 0.000 0.185 6.442) 6.444 22.396 ( 0.000 -6.044 4.103) 7.305 ======================= Grid point 140 (59/171) ======================= q-point: ( 0.50 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -1.283 7.064 8.473) 11.106 1.024 ( -6.000 8.777 8.830) 13.820 1.469 ( 3.778 -3.521 -2.344) 5.671 1.553 ( 0.941 -2.499 -2.941) 3.973 1.735 ( 2.125 4.247 -1.863) 5.101 1.836 ( -3.433 1.522 -4.617) 5.952 1.966 ( 3.806 -3.527 6.211) 8.093 2.307 ( 1.462 -3.140 -2.292) 4.154 2.447 ( 5.241 3.261 15.733) 16.901 2.531 ( 4.774 2.562 22.160) 22.813 3.223 ( -4.559 1.284 27.878) 28.277 3.285 ( -0.140 0.744 23.458) 23.470 3.540 ( 0.537 2.877 -4.330) 5.227 3.693 ( -7.705 5.673 -4.884) 10.742 3.848 ( 6.444 1.959 -13.303) 14.911 4.039 ( -1.565 -0.828 -8.147) 8.337 4.132 ( -2.383 0.939 -1.606) 3.023 4.391 ( -1.534 0.087 -9.145) 9.273 4.949 ( -4.002 6.040 14.103) 15.855 5.525 ( 1.350 1.317 -4.927) 5.275 6.826 ( 0.155 -3.300 5.248) 6.201 7.025 ( 1.396 0.417 -4.224) 4.468 7.118 ( -4.859 -0.190 -13.239) 14.103 7.536 ( -1.096 -4.563 -8.859) 10.025 7.961 ( -0.411 7.340 10.077) 12.473 8.522 ( 1.877 2.147 -8.093) 8.581 10.060 ( 11.140 -1.936 -14.415) 18.321 10.413 ( -7.707 4.927 -22.342) 24.142 10.914 ( -11.274 -0.048 13.026) 17.227 11.924 ( -3.230 -6.070 -20.966) 22.064 13.133 ( 5.105 -10.227 6.920) 13.362 13.350 ( -0.538 -9.372 2.807) 9.798 13.935 ( 3.968 11.761 4.466) 13.191 14.012 ( -0.067 10.502 5.190) 11.714 20.305 ( 10.637 -1.010 3.808) 11.344 20.402 ( 8.955 1.219 2.115) 9.282 20.966 ( -1.386 -1.517 11.790) 11.968 21.260 ( -5.170 -6.406 7.701) 11.273 21.670 ( -4.279 -0.332 -9.208) 10.159 21.813 ( 0.076 0.417 -6.889) 6.902 22.288 ( -0.560 -0.517 5.077) 5.134 22.370 ( 1.090 -4.316 3.212) 5.489 ======================= Grid point 141 (60/171) ======================= q-point: ( 0.60 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( -3.744 3.854 6.141) 8.160 1.251 ( -3.393 6.342 4.793) 8.643 1.348 ( 5.511 -2.472 -1.145) 6.148 1.499 ( 0.282 -1.461 -0.832) 1.705 1.741 ( 0.841 4.115 -0.470) 4.226 1.862 ( -2.596 2.196 -4.076) 5.308 1.922 ( 5.373 -3.016 8.222) 10.274 2.212 ( 2.791 -2.309 -5.828) 6.862 2.498 ( 9.564 -0.221 18.216) 20.575 2.659 ( 5.453 3.306 17.563) 18.685 3.372 ( 3.119 1.126 1.180) 3.519 3.480 ( -0.864 2.938 15.813) 16.107 3.570 ( 0.673 -0.554 5.701) 5.767 3.641 ( 7.559 3.118 -11.438) 14.061 3.806 ( -6.544 2.450 -4.589) 8.359 4.018 ( -3.879 3.032 -6.694) 8.310 4.149 ( -1.384 -1.629 -0.513) 2.198 4.367 ( -2.514 2.141 -6.366) 7.171 5.166 ( -3.750 5.191 8.783) 10.870 5.477 ( 2.164 2.190 -3.440) 4.616 6.802 ( -1.070 -7.388 1.078) 7.543 7.045 ( -1.174 0.682 6.935) 7.067 7.117 ( -7.722 1.294 -9.800) 12.544 7.443 ( -2.917 -1.998 -11.363) 11.900 8.117 ( 0.349 6.246 10.099) 11.879 8.437 ( 3.265 3.129 -7.911) 9.113 9.792 ( 6.870 -5.081 -7.518) 11.382 10.467 ( -11.158 9.121 -13.532) 19.769 11.196 ( -13.452 -2.084 10.434) 17.151 11.762 ( -6.920 -7.245 -19.697) 22.098 12.989 ( 7.849 -9.048 3.859) 12.584 13.300 ( 0.096 -7.350 2.656) 7.815 13.992 ( 5.420 9.133 2.964) 11.026 14.116 ( 3.085 8.475 3.195) 9.568 20.150 ( 10.961 -0.574 2.275) 11.209 20.260 ( 12.199 1.116 1.241) 12.313 21.058 ( 3.761 -0.536 14.570) 15.057 21.359 ( -9.070 -7.035 4.319) 12.264 21.606 ( 0.888 0.653 -12.054) 12.104 21.824 ( -5.396 1.285 -3.039) 6.325 22.315 ( 0.609 -1.838 2.636) 3.271 22.342 ( 1.195 -2.113 2.043) 3.173 ======================= Grid point 142 (61/171) ======================= q-point: ( 0.70 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 7.961 -2.583 -0.047) 8.369 1.228 ( -4.480 1.055 4.219) 6.244 1.302 ( 2.352 -0.940 -2.223) 3.370 1.555 ( -3.135 4.078 1.783) 5.444 1.781 ( -0.940 2.959 1.823) 3.600 1.871 ( -0.307 -2.794 0.185) 2.817 1.914 ( 4.036 3.400 7.060) 8.814 2.080 ( 5.123 -0.470 -8.001) 9.512 2.455 ( 11.841 -2.441 12.271) 17.226 2.688 ( 8.713 1.495 7.284) 11.454 3.292 ( 6.310 -0.321 -0.179) 6.321 3.381 ( 11.048 0.601 -8.119) 13.724 3.565 ( 4.700 -1.209 0.444) 4.873 3.667 ( -4.147 1.374 6.975) 8.230 3.859 ( -3.288 1.445 -4.804) 5.998 4.105 ( -6.601 6.107 -2.911) 9.452 4.163 ( -2.439 -0.412 1.788) 3.052 4.380 ( -1.526 2.762 -4.230) 5.278 5.312 ( -2.858 5.650 3.074) 7.038 5.428 ( 5.393 1.942 -0.769) 5.783 6.740 ( -0.204 -11.283 1.499) 11.384 7.143 ( -3.616 1.139 3.628) 5.247 7.240 ( -10.155 1.104 3.759) 10.884 7.412 ( -6.855 1.407 -11.251) 13.250 8.230 ( 1.854 5.865 6.650) 9.059 8.357 ( 2.919 3.908 -6.457) 8.092 9.636 ( 0.962 -7.000 -1.922) 7.323 10.687 ( -14.574 12.110 -4.574) 19.493 11.454 ( -13.685 -4.742 7.706) 16.406 11.674 ( -11.198 -7.430 -15.144) 20.247 12.799 ( 9.458 -7.966 1.605) 12.469 13.252 ( 1.357 -4.912 1.904) 5.440 13.994 ( 6.533 6.682 1.430) 9.453 14.128 ( 6.720 5.957 1.246) 9.067 20.019 ( 7.662 0.283 1.300) 7.777 20.098 ( 9.865 0.454 -0.304) 9.880 21.065 ( 10.655 -0.477 11.810) 15.913 21.460 ( -5.436 -1.656 -1.965) 6.013 21.510 ( -2.879 -0.600 -6.134) 6.802 21.901 ( -5.525 -0.189 -1.170) 5.651 22.279 ( 2.340 -2.627 0.705) 3.588 22.330 ( 0.990 -0.629 0.733) 1.383 ======================= Grid point 143 (62/171) ======================= q-point: (-0.20 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 7.056 -0.164 0.000) 7.058 1.177 ( 6.018 -4.837 0.000) 7.722 1.357 ( -6.868 -0.320 -0.000) 6.875 1.629 ( -0.766 3.635 -0.000) 3.715 1.837 ( 0.151 0.409 -0.000) 0.436 1.841 ( 0.265 -3.804 0.000) 3.814 1.895 ( 9.537 2.831 -0.000) 9.948 1.965 ( 2.573 4.073 -0.000) 4.818 2.303 ( 11.970 -2.598 0.000) 12.248 2.570 ( 8.786 -0.886 0.000) 8.831 3.132 ( 15.188 -0.211 0.000) 15.190 3.196 ( 9.845 0.902 0.000) 9.886 3.472 ( 0.965 -5.413 0.000) 5.498 3.788 ( -6.140 0.371 -0.000) 6.152 3.858 ( 0.181 0.203 -0.000) 0.272 4.253 ( -5.608 2.586 -0.000) 6.176 4.256 ( -6.594 5.643 -0.000) 8.679 4.387 ( 0.402 2.101 -0.000) 2.139 5.310 ( 10.394 0.369 0.000) 10.401 5.436 ( -2.843 7.605 -0.000) 8.119 6.620 ( 1.774 -12.444 0.000) 12.570 7.232 ( -4.908 0.318 -0.000) 4.918 7.450 ( -10.916 1.770 -0.000) 11.058 7.495 ( -7.994 2.647 -0.000) 8.421 8.268 ( 4.474 6.906 -0.000) 8.228 8.347 ( -1.436 3.138 -0.000) 3.451 9.588 ( -3.834 -7.036 0.000) 8.012 11.036 ( -16.917 13.334 -0.000) 21.540 11.605 ( -11.895 -9.784 0.000) 15.402 11.762 ( -16.036 -5.381 0.000) 16.914 12.583 ( 10.882 -6.461 0.000) 12.656 13.199 ( 2.287 -2.158 0.000) 3.145 13.942 ( 7.526 3.900 -0.000) 8.476 14.048 ( 10.043 3.568 -0.000) 10.657 19.953 ( 2.548 0.657 -0.000) 2.632 19.978 ( 5.345 0.131 0.000) 5.346 20.913 ( 14.368 -1.034 0.000) 14.405 21.461 ( 3.829 8.551 -0.000) 9.369 21.596 ( -10.215 -5.096 0.000) 11.416 21.955 ( -3.578 -2.377 0.000) 4.295 22.218 ( 2.653 -2.500 0.000) 3.646 22.309 ( 1.657 -0.105 0.000) 1.660 ======================= Grid point 147 (63/171) ======================= q-point: ( 0.20 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 9.562 -3.113 9.574) 13.885 0.982 ( 6.759 -1.721 14.221) 15.839 1.341 ( -5.839 0.049 -4.603) 7.435 1.481 ( -3.791 2.753 1.973) 5.083 1.569 ( -4.824 -2.644 -2.418) 6.009 1.794 ( -2.474 1.647 2.984) 4.211 1.854 ( -10.733 0.612 17.578) 20.605 2.052 ( 3.701 1.398 -0.079) 3.957 2.099 ( 3.791 -2.274 10.405) 11.305 2.365 ( -1.088 0.279 -6.822) 6.913 2.958 ( 5.925 -2.351 16.942) 18.102 3.058 ( 10.452 -0.326 20.021) 22.587 3.496 ( 0.557 -1.468 4.077) 4.369 3.747 ( -4.984 0.063 -6.244) 7.989 4.044 ( 1.849 0.168 -7.864) 8.080 4.252 ( 1.640 1.030 -9.019) 9.225 4.290 ( 1.519 -0.989 -1.301) 2.231 4.629 ( 1.883 0.527 -12.357) 12.511 4.920 ( 8.298 -0.287 10.592) 13.458 5.496 ( -3.255 0.403 -5.169) 6.121 6.601 ( -1.548 -0.437 13.924) 14.017 7.135 ( -0.681 0.593 -6.441) 6.504 7.457 ( 5.314 0.217 -8.666) 10.168 7.712 ( -7.532 0.074 -8.983) 11.723 7.980 ( 12.246 0.104 -4.904) 13.191 8.525 ( -4.998 -0.936 -7.229) 8.838 9.803 ( -9.867 -0.043 4.762) 10.956 10.914 ( 4.660 -1.354 -22.270) 22.793 11.419 ( 17.859 -1.555 -7.364) 19.380 12.515 ( 7.155 1.307 -18.052) 19.462 12.854 ( -12.668 4.392 13.887) 19.304 13.136 ( -12.995 0.529 15.334) 20.107 13.678 ( 2.365 -1.652 3.413) 4.469 13.764 ( 4.051 -4.084 4.781) 7.480 19.993 ( -9.498 0.598 -0.031) 9.516 20.078 ( -0.738 -0.730 -1.278) 1.646 20.547 ( -10.268 -0.166 13.501) 16.962 21.551 ( 10.778 2.974 3.971) 11.865 21.760 ( -7.720 -1.041 -8.258) 11.352 21.994 ( 2.330 -0.435 -2.854) 3.710 22.264 ( 2.368 0.155 3.529) 4.252 22.309 ( -2.486 2.656 6.034) 7.046 ======================= Grid point 148 (64/171) ======================= q-point: ( 0.30 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.562 0.000 12.235) 14.933 0.961 ( 8.908 0.000 10.028) 13.413 1.462 ( -8.579 -0.000 -0.149) 8.581 1.585 ( -3.325 0.000 2.835) 4.370 1.594 ( -4.943 -0.000 -4.507) 6.689 1.905 ( -5.770 0.000 6.501) 8.692 1.943 ( 4.801 -0.000 -7.936) 9.275 2.170 ( -7.356 0.000 18.635) 20.034 2.200 ( -1.733 0.000 21.306) 21.376 2.351 ( -2.112 -0.000 -3.233) 3.862 3.053 ( 0.904 0.000 20.458) 20.478 3.094 ( 9.270 0.000 24.103) 25.824 3.513 ( 2.609 0.000 7.003) 7.474 3.783 ( -7.664 -0.000 -7.994) 11.075 3.858 ( 10.086 -0.000 -13.979) 17.238 4.135 ( 0.242 -0.000 -10.991) 10.994 4.235 ( 4.534 -0.000 -2.953) 5.411 4.499 ( 1.467 -0.000 -11.814) 11.904 4.862 ( 9.963 0.000 11.869) 15.497 5.510 ( -3.246 -0.000 -4.346) 5.425 6.756 ( -1.491 0.000 15.722) 15.793 7.083 ( -0.274 -0.000 -9.310) 9.314 7.295 ( 4.308 -0.000 -11.418) 12.203 7.712 ( -4.196 -0.000 -12.370) 13.062 7.803 ( 9.336 0.000 6.628) 11.449 8.518 ( -3.620 -0.000 -8.610) 9.340 9.995 ( -11.967 -0.000 -1.229) 12.030 10.614 ( 5.727 -0.000 -25.031) 25.678 11.098 ( 18.472 0.000 0.434) 18.477 12.255 ( 5.537 -0.000 -20.503) 21.237 13.187 ( -11.209 0.000 13.285) 17.381 13.400 ( -8.381 0.000 6.752) 10.762 13.699 ( -0.313 0.000 5.915) 5.924 13.706 ( 4.988 0.000 4.740) 6.881 20.155 ( -8.226 0.000 3.142) 8.806 20.177 ( -12.657 0.000 1.137) 12.708 20.806 ( -7.438 0.000 13.971) 15.828 21.435 ( 10.908 0.000 5.291) 12.123 21.774 ( -4.385 -0.000 -10.262) 11.160 21.896 ( 4.372 -0.000 -6.383) 7.737 22.269 ( 1.890 0.000 5.191) 5.524 22.409 ( -3.101 0.000 3.085) 4.375 ======================= Grid point 150 (65/171) ======================= q-point: ( 0.50 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 0.000 8.328 9.371) 12.537 0.972 ( 0.000 4.217 6.469) 7.723 1.517 ( -0.000 -3.620 -1.522) 3.927 1.550 ( -0.000 -2.970 -3.566) 4.641 1.697 ( -0.000 4.639 -2.630) 5.333 1.725 ( -0.000 3.922 -5.770) 6.977 2.092 ( 0.000 -4.090 7.197) 8.278 2.317 ( -0.000 -2.982 -4.754) 5.612 2.552 ( 0.000 4.830 14.520) 15.303 2.746 ( 0.000 0.902 17.274) 17.297 3.394 ( -0.000 3.620 -9.460) 10.129 3.427 ( 0.000 0.808 24.971) 24.984 3.495 ( 0.000 0.397 17.193) 17.198 3.599 ( 0.000 3.666 3.607) 5.143 3.766 ( -0.000 0.950 -13.706) 13.738 3.954 ( -0.000 0.282 -9.690) 9.694 4.114 ( 0.000 0.581 4.342) 4.381 4.312 ( -0.000 -0.522 -7.329) 7.347 4.999 ( 0.000 4.323 15.677) 16.262 5.455 ( -0.000 1.669 -9.339) 9.487 6.817 ( -0.000 0.053 -6.655) 6.655 6.965 ( -0.000 -1.441 -14.433) 14.504 7.076 ( 0.000 -0.887 10.447) 10.485 7.485 ( -0.000 -4.018 -11.637) 12.311 8.010 ( 0.000 5.240 15.151) 16.032 8.440 ( -0.000 2.342 -9.532) 9.816 10.035 ( -0.000 0.830 -13.065) 13.091 10.135 ( -0.000 0.822 -17.713) 17.732 10.995 ( 0.000 -1.131 21.330) 21.360 11.760 ( -0.000 -3.781 -22.086) 22.408 13.343 ( 0.000 -12.426 6.062) 13.826 13.445 ( -0.000 -10.479 0.127) 10.479 13.886 ( 0.000 13.920 4.730) 14.701 13.942 ( 0.000 10.320 2.586) 10.639 20.438 ( 0.000 0.252 3.443) 3.452 20.481 ( 0.000 -0.043 0.795) 0.796 21.054 ( 0.000 -1.953 11.521) 11.685 21.339 ( 0.000 -5.368 5.443) 7.645 21.549 ( -0.000 2.413 -7.580) 7.954 21.742 ( -0.000 0.444 -8.974) 8.985 22.337 ( 0.000 -0.939 5.406) 5.487 22.433 ( -0.000 -3.597 0.321) 3.612 ======================= Grid point 151 (66/171) ======================= q-point: ( 0.60 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.039 5.232 4.109) 6.734 1.145 ( -5.441 8.380 4.310) 10.881 1.437 ( 3.546 -3.394 -1.215) 5.057 1.509 ( -0.800 -3.386 -1.756) 3.897 1.698 ( 1.357 4.893 -1.727) 5.363 1.764 ( -2.142 4.869 -2.408) 5.839 2.091 ( 2.965 -4.291 7.490) 9.127 2.222 ( 1.882 -3.329 -6.469) 7.515 2.710 ( 2.387 3.171 13.506) 14.077 2.831 ( 3.194 2.183 7.365) 8.320 3.384 ( 1.379 3.888 0.505) 4.156 3.545 ( 1.779 2.745 -6.413) 7.199 3.604 ( 2.293 0.490 1.814) 2.965 3.642 ( -0.346 3.492 10.261) 10.844 3.727 ( -0.496 0.857 4.146) 4.263 3.890 ( -1.516 1.606 -8.669) 8.946 4.159 ( -0.199 -0.919 3.065) 3.206 4.271 ( -2.125 0.729 -4.459) 4.993 5.173 ( -0.597 3.893 10.964) 11.650 5.402 ( -1.552 3.280 -8.327) 9.083 6.795 ( -2.890 -2.001 -2.251) 4.174 6.902 ( -6.912 0.415 -8.590) 11.033 7.145 ( 0.954 -2.138 11.377) 11.615 7.349 ( -0.135 -3.505 -11.791) 12.302 8.174 ( 1.004 5.180 12.620) 13.678 8.369 ( 1.798 3.614 -9.841) 10.637 9.872 ( 6.479 -2.861 -5.979) 9.269 10.135 ( -9.398 5.551 -8.858) 14.057 11.206 ( -6.081 -3.031 19.485) 20.635 11.560 ( -4.013 -4.976 -21.174) 22.118 13.218 ( 6.223 -10.888 2.685) 12.825 13.375 ( -2.305 -9.594 0.416) 9.876 13.990 ( 4.276 11.183 1.735) 12.098 14.070 ( -0.250 10.396 1.624) 10.525 20.351 ( 11.267 -0.763 1.397) 11.379 20.430 ( 8.915 1.456 0.921) 9.080 21.170 ( -4.507 -3.453 11.107) 12.474 21.335 ( -5.740 -5.629 -1.607) 8.199 21.536 ( 2.430 1.183 -3.779) 4.646 21.702 ( -3.504 2.617 -4.878) 6.551 22.362 ( 0.336 -1.719 3.262) 3.703 22.394 ( 0.903 -2.959 -0.332) 3.111 ======================= Grid point 152 (67/171) ======================= q-point: ( 0.70 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -3.917 3.192 -0.000) 5.052 1.300 ( -1.656 5.601 -0.000) 5.841 1.328 ( 6.135 -3.187 0.000) 6.914 1.492 ( -2.251 -1.101 0.000) 2.506 1.729 ( -0.863 4.041 -0.000) 4.132 1.826 ( -1.477 4.168 -0.000) 4.423 2.045 ( 3.987 -3.354 0.000) 5.210 2.113 ( 3.878 -1.570 0.000) 4.184 2.689 ( 8.793 -1.326 0.000) 8.892 2.833 ( 6.016 2.550 -0.000) 6.534 3.393 ( 5.166 1.877 -0.000) 5.497 3.423 ( 5.528 2.208 -0.000) 5.952 3.640 ( -1.554 1.792 -0.000) 2.372 3.674 ( 5.752 0.451 0.000) 5.770 3.770 ( -3.174 1.693 -0.000) 3.597 3.937 ( -5.410 5.366 -0.000) 7.620 4.155 ( -0.606 -1.703 0.000) 1.808 4.310 ( -2.425 2.444 -0.000) 3.443 5.250 ( -0.692 3.813 -0.000) 3.876 5.435 ( -0.599 3.801 -0.000) 3.848 6.802 ( -3.864 -7.417 0.000) 8.363 7.021 ( -10.003 2.006 -0.000) 10.202 7.229 ( -1.403 -0.714 0.000) 1.574 7.235 ( -2.659 -1.683 0.000) 3.147 8.274 ( 3.329 5.525 -0.000) 6.450 8.304 ( 1.801 4.124 -0.000) 4.500 9.723 ( 4.060 -5.852 0.000) 7.123 10.344 ( -12.941 9.871 -0.000) 16.276 11.438 ( -8.072 -5.665 0.000) 9.862 11.444 ( -9.849 -4.901 0.000) 11.001 13.022 ( 7.997 -9.671 0.000) 12.549 13.322 ( -0.687 -7.438 0.000) 7.470 14.017 ( 5.577 9.273 -0.000) 10.821 14.144 ( 3.217 8.311 -0.000) 8.912 20.171 ( 11.337 -0.317 0.000) 11.342 20.271 ( 12.730 1.038 0.000) 12.772 21.249 ( 0.418 -3.680 0.000) 3.704 21.383 ( -3.709 0.704 -0.000) 3.775 21.452 ( -0.830 -3.962 0.000) 4.048 21.794 ( -6.033 2.440 -0.000) 6.508 22.339 ( 1.670 -2.760 0.000) 3.226 22.358 ( 0.846 -1.464 0.000) 1.691 ======================= Grid point 158 (68/171) ======================= q-point: ( 0.20 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 3.057 -0.022 6.153) 6.871 1.161 ( -0.218 -3.612 2.949) 4.668 1.283 ( 4.407 0.015 7.024) 8.292 1.396 ( -3.931 1.714 -1.798) 4.650 1.533 ( -3.121 -3.418 0.644) 4.673 1.764 ( -2.082 2.585 2.873) 4.390 1.824 ( -11.092 0.854 16.110) 19.578 2.068 ( 1.397 0.833 -1.903) 2.503 2.253 ( 1.567 -1.749 7.189) 7.563 2.269 ( -1.885 0.388 -6.196) 6.488 3.242 ( 7.241 -2.342 15.437) 17.210 3.268 ( 2.270 -0.579 6.113) 6.546 3.463 ( -6.220 0.532 -5.484) 8.310 3.657 ( 0.218 -0.081 -1.054) 1.079 4.005 ( -0.063 -0.059 -3.126) 3.128 4.214 ( 3.458 0.263 -6.897) 7.720 4.326 ( 2.950 0.673 -1.803) 3.522 4.528 ( 0.209 -0.718 -11.911) 11.935 5.113 ( 3.945 -0.640 8.356) 9.263 5.386 ( -4.297 -0.183 -5.842) 7.254 6.681 ( -2.622 0.062 12.127) 12.407 7.120 ( 3.723 2.140 0.185) 4.298 7.467 ( 5.712 0.846 -6.563) 8.742 7.570 ( -4.423 -2.302 -4.502) 6.718 8.103 ( 8.054 0.255 -2.268) 8.371 8.398 ( -4.729 -2.616 -7.737) 9.437 9.754 ( -1.973 2.344 7.675) 8.263 10.861 ( 7.044 -3.124 -14.954) 16.823 11.666 ( 17.199 -2.897 -3.012) 17.700 12.467 ( 9.845 2.466 -18.972) 21.516 12.714 ( -13.691 6.870 13.156) 20.192 13.064 ( -12.137 0.751 13.735) 18.345 13.741 ( 0.722 -2.848 0.546) 2.988 13.867 ( 1.479 -3.224 1.077) 3.707 19.877 ( -5.438 0.015 0.775) 5.493 20.072 ( 2.730 -0.375 -4.868) 5.594 20.506 ( -11.089 -0.196 14.164) 17.990 21.558 ( -9.518 -2.474 -9.977) 14.010 21.705 ( 8.398 3.940 3.771) 10.014 22.013 ( 1.298 -1.573 -1.923) 2.803 22.295 ( -1.238 3.087 3.597) 4.899 22.304 ( 0.409 0.485 1.516) 1.643 ======================= Grid point 159 (69/171) ======================= q-point: ( 0.30 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 8.181 -1.806 10.348) 13.314 1.193 ( 9.730 -1.337 7.926) 12.621 1.312 ( -10.602 1.131 1.105) 10.719 1.473 ( -5.227 1.059 -2.676) 5.967 1.584 ( -3.116 -2.719 4.169) 5.872 1.861 ( -4.355 2.383 4.667) 6.814 1.934 ( 2.412 -1.290 -6.988) 7.504 2.223 ( -8.547 1.770 20.886) 22.637 2.255 ( -3.827 0.778 -6.001) 7.160 2.346 ( -2.617 -2.340 15.945) 16.327 3.267 ( 4.721 -1.579 17.866) 18.546 3.305 ( 0.387 -0.294 7.234) 7.250 3.533 ( -7.563 0.120 -3.879) 8.500 3.640 ( 0.604 0.542 -1.730) 1.911 3.914 ( 8.457 -1.022 -7.599) 11.416 4.061 ( 1.885 -1.214 -10.246) 10.489 4.278 ( 3.888 2.074 -2.017) 4.846 4.410 ( 0.172 -1.240 -11.508) 11.576 5.093 ( 6.814 -0.912 8.765) 11.139 5.414 ( -4.544 -0.471 -4.464) 6.387 6.848 ( -3.108 0.699 14.547) 14.892 7.068 ( 5.178 1.253 -1.195) 5.459 7.295 ( 7.582 -0.286 -8.839) 11.649 7.558 ( -3.364 -0.413 -9.782) 10.353 7.979 ( 6.814 -1.151 4.141) 8.056 8.381 ( -4.748 -1.306 -9.053) 10.306 9.874 ( -3.646 2.466 3.662) 5.726 10.546 ( 8.914 -3.506 -20.054) 22.224 11.391 ( 16.977 -0.215 4.362) 17.530 12.177 ( 8.429 1.592 -20.155) 21.905 13.076 ( -11.328 7.500 10.888) 17.411 13.326 ( -9.382 -0.119 7.014) 11.714 13.728 ( -0.301 -1.410 2.441) 2.835 13.825 ( 0.877 -5.672 2.453) 6.242 20.006 ( -9.798 0.555 1.387) 9.911 20.069 ( -5.534 -0.748 -0.165) 5.587 20.801 ( -10.154 -0.170 15.758) 18.747 21.584 ( -7.188 -0.494 -10.945) 13.104 21.631 ( 9.121 1.924 3.965) 10.130 21.926 ( 4.982 -0.770 -4.721) 6.907 22.321 ( 0.393 0.405 2.958) 3.012 22.375 ( -2.568 2.022 1.946) 3.804 ======================= Grid point 160 (70/171) ======================= q-point: ( 0.40 0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 7.256 0.000 10.359) 12.648 1.088 ( 8.912 0.000 4.642) 10.048 1.465 ( -6.321 0.000 0.550) 6.345 1.522 ( -4.598 -0.000 -3.533) 5.798 1.614 ( 0.304 0.000 1.257) 1.293 1.787 ( 4.396 -0.000 -8.905) 9.931 2.028 ( -6.386 0.000 7.534) 9.876 2.272 ( -4.265 -0.000 -5.802) 7.201 2.498 ( -2.816 0.000 18.553) 18.766 2.580 ( -7.522 0.000 20.277) 21.627 3.356 ( -0.371 0.000 2.358) 2.387 3.388 ( -1.525 0.000 16.154) 16.225 3.597 ( -7.256 -0.000 -12.500) 14.454 3.640 ( 1.069 0.000 7.773) 7.846 3.656 ( 11.662 -0.000 -5.104) 12.730 3.963 ( 0.639 -0.000 -9.660) 9.681 4.209 ( 4.526 0.000 0.062) 4.526 4.321 ( -0.169 -0.000 -7.866) 7.868 5.072 ( 6.117 0.000 11.857) 13.342 5.414 ( -1.979 -0.000 -7.172) 7.440 6.943 ( 7.486 -0.000 -1.795) 7.698 7.034 ( -2.885 0.000 12.465) 12.795 7.094 ( 7.244 -0.000 -10.736) 12.951 7.498 ( -1.870 -0.000 -12.771) 12.907 7.978 ( 1.860 0.000 12.044) 12.186 8.358 ( -3.551 -0.000 -9.754) 10.381 9.948 ( -2.786 -0.000 -1.887) 3.365 10.231 ( 6.753 -0.000 -18.748) 19.927 11.239 ( 12.990 0.000 14.340) 19.349 11.895 ( 6.388 -0.000 -21.064) 22.011 13.368 ( -9.631 0.000 7.702) 12.332 13.465 ( -5.991 0.000 1.400) 6.152 13.770 ( 2.940 0.000 2.795) 4.056 13.779 ( -1.480 0.000 3.011) 3.356 20.199 ( -10.582 0.000 1.791) 10.732 20.200 ( -12.741 0.000 1.306) 12.808 21.060 ( -5.631 0.000 15.291) 16.294 21.537 ( 9.380 0.000 6.491) 11.406 21.570 ( -3.731 -0.000 -13.313) 13.826 21.778 ( 6.035 -0.000 -7.126) 9.338 22.351 ( 0.010 0.000 4.157) 4.157 22.432 ( -2.334 -0.000 -0.158) 2.340 ======================= Grid point 162 (71/171) ======================= q-point: (-0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 0.000 5.727 -0.324) 5.736 1.032 ( 0.000 5.727 0.324) 5.736 1.507 ( -0.000 -3.644 -0.654) 3.702 1.507 ( -0.000 -3.644 0.654) 3.702 1.672 ( 0.000 5.156 -0.108) 5.158 1.672 ( 0.000 5.156 0.108) 5.158 2.214 ( -0.000 -3.585 -6.807) 7.693 2.214 ( 0.000 -3.585 6.807) 7.693 2.794 ( -0.000 3.306 -10.883) 11.374 2.794 ( 0.000 3.306 10.883) 11.374 3.426 ( -0.000 3.074 -13.655) 13.997 3.426 ( 0.000 3.074 13.655) 13.997 3.657 ( -0.000 0.696 -0.318) 0.766 3.657 ( 0.000 0.696 0.318) 0.766 3.788 ( -0.000 0.887 -9.348) 9.390 3.788 ( 0.000 0.887 9.348) 9.390 4.207 ( -0.000 -0.307 -5.604) 5.612 4.207 ( 0.000 -0.307 5.604) 5.612 5.254 ( -0.000 2.738 -13.587) 13.860 5.254 ( 0.000 2.738 13.587) 13.860 6.783 ( -0.000 0.051 -4.726) 4.726 6.783 ( 0.000 0.051 4.726) 4.726 7.280 ( -0.000 -2.803 -12.067) 12.388 7.280 ( 0.000 -2.803 12.067) 12.388 8.253 ( -0.000 3.381 -12.469) 12.919 8.253 ( 0.000 3.381 12.469) 12.919 9.948 ( -0.000 0.839 -2.790) 2.913 9.948 ( 0.000 0.839 2.790) 2.913 11.375 ( -0.000 -2.827 -22.471) 22.648 11.375 ( 0.000 -2.827 22.471) 22.648 13.420 ( -0.000 -11.346 -2.627) 11.646 13.420 ( 0.000 -11.346 2.627) 11.646 13.946 ( 0.000 11.691 -1.664) 11.809 13.946 ( 0.000 11.691 1.664) 11.809 20.478 ( -0.000 0.213 -1.051) 1.073 20.478 ( 0.000 0.213 1.051) 1.073 21.257 ( -0.000 -3.578 -11.285) 11.838 21.257 ( 0.000 -3.578 11.285) 11.838 21.587 ( -0.000 1.782 -8.380) 8.568 21.587 ( 0.000 1.782 8.380) 8.568 22.410 ( -0.000 -2.031 -2.903) 3.542 22.410 ( 0.000 -2.031 2.903) 3.542 ======================= Grid point 169 (72/171) ======================= q-point: ( 0.20 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -4.194 0.753 -4.833) 6.443 1.206 ( -2.769 1.245 -0.648) 3.105 1.370 ( 2.393 -2.419 2.934) 4.493 1.462 ( 2.511 -0.590 13.871) 14.109 1.540 ( -0.262 -2.852 0.272) 2.877 1.727 ( -3.666 3.303 4.577) 6.730 1.783 ( -9.894 1.049 13.797) 17.011 2.045 ( -0.993 0.122 -3.615) 3.751 2.144 ( -1.230 2.521 -9.764) 10.159 2.351 ( -1.193 -3.043 5.810) 6.666 3.175 ( -9.446 1.578 -10.190) 13.984 3.205 ( -9.944 1.658 -11.675) 15.425 3.554 ( 9.446 0.494 12.537) 15.705 3.722 ( 4.983 0.921 5.103) 7.191 4.011 ( 0.952 -1.809 1.510) 2.541 4.209 ( 0.543 1.160 -2.612) 2.909 4.318 ( 5.531 0.564 -8.630) 10.266 4.489 ( 1.449 -3.829 -6.509) 7.690 5.134 ( -6.704 1.731 0.603) 6.950 5.315 ( -1.030 -3.897 -2.923) 4.980 6.728 ( -2.336 3.157 10.203) 10.933 7.187 ( 4.416 2.655 4.680) 6.960 7.509 ( -0.815 -4.116 1.042) 4.323 7.553 ( 6.788 -0.238 -3.481) 7.632 8.148 ( -0.114 0.400 -2.734) 2.765 8.344 ( 2.178 -4.528 -4.962) 7.062 9.824 ( 6.041 6.800 9.969) 13.495 10.942 ( 9.274 -6.541 -4.821) 12.331 11.930 ( 15.531 -3.275 -1.110) 15.911 12.445 ( 11.828 3.944 -17.361) 21.374 12.544 ( -13.063 8.007 11.482) 19.147 12.990 ( -11.300 -0.029 11.437) 16.078 13.759 ( -1.083 -2.187 -1.243) 2.739 13.885 ( -0.767 -1.308 -2.992) 3.354 19.848 ( -0.064 -0.285 2.079) 2.100 20.085 ( 5.496 -0.208 -7.243) 9.094 20.453 ( -11.641 0.111 13.441) 17.782 21.337 ( -11.704 -5.767 -12.263) 17.906 21.813 ( 6.597 4.018 3.381) 8.432 22.016 ( -1.371 -1.672 -1.444) 2.601 22.276 ( -0.328 3.223 1.609) 3.617 22.297 ( -1.091 0.795 -0.172) 1.361 ======================= Grid point 170 (73/171) ======================= q-point: ( 0.30 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -9.250 3.000 2.815) 10.124 1.231 ( 2.315 -0.759 4.329) 4.968 1.339 ( 1.645 -0.040 -1.243) 2.062 1.433 ( 2.500 -4.296 3.044) 5.828 1.625 ( -2.094 -2.085 10.296) 10.711 1.819 ( -2.993 2.877 4.255) 5.945 1.926 ( 1.644 -1.373 -4.852) 5.304 2.109 ( -5.742 1.100 -7.554) 9.552 2.224 ( -10.234 3.209 16.722) 19.866 2.429 ( -4.747 -2.837 9.789) 11.243 3.244 ( -7.401 0.661 -6.357) 9.779 3.286 ( -11.713 0.484 -10.569) 15.784 3.534 ( 8.221 -0.068 14.033) 16.264 3.703 ( 4.447 1.374 5.295) 7.050 3.967 ( 3.464 -0.379 -3.180) 4.717 4.074 ( 7.618 -4.304 -8.892) 12.475 4.235 ( -0.242 3.534 -5.271) 6.351 4.372 ( 1.477 -3.262 -6.763) 7.653 5.215 ( 0.330 -1.484 3.773) 4.068 5.308 ( -5.416 -1.051 -3.260) 6.408 6.904 ( -3.058 3.352 12.890) 13.665 7.167 ( 6.888 2.781 4.434) 8.651 7.384 ( 9.991 -0.492 -3.221) 10.509 7.463 ( -0.871 -3.893 -7.822) 8.781 8.097 ( 3.768 -0.894 0.881) 3.971 8.264 ( -2.948 -3.356 -6.817) 8.150 9.888 ( 4.592 7.737 7.399) 11.649 10.621 ( 11.882 -9.363 -12.224) 19.449 11.687 ( 15.920 -0.045 5.750) 16.927 12.140 ( 11.228 2.624 -18.286) 21.618 12.904 ( -10.815 10.575 8.235) 17.223 13.234 ( -9.949 0.373 6.039) 11.644 13.753 ( -1.544 -3.541 0.904) 3.967 13.870 ( -2.542 -4.645 -0.557) 5.324 19.904 ( -5.038 -0.101 2.239) 5.514 20.005 ( -1.526 -0.407 -3.259) 3.621 20.769 ( -12.238 0.071 15.873) 20.043 21.353 ( -10.582 -3.533 -13.433) 17.461 21.770 ( 7.962 4.249 3.400) 9.644 21.972 ( 3.239 -1.667 -2.499) 4.418 22.324 ( -1.087 1.194 0.853) 1.826 22.332 ( -1.886 2.291 0.926) 3.109 ======================= Grid point 171 (74/171) ======================= q-point: ( 0.40 0.60 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 7.329 -0.728 6.706) 9.960 1.245 ( 6.743 -1.287 -0.356) 6.874 1.342 ( -7.710 4.142 0.693) 8.779 1.438 ( -5.369 -3.404 -0.881) 6.418 1.669 ( 2.236 -1.447 5.528) 6.136 1.787 ( 4.207 -1.034 -7.435) 8.605 1.990 ( -6.307 1.273 8.079) 10.327 2.132 ( -5.673 0.906 -7.974) 9.828 2.548 ( -9.099 2.153 13.622) 16.522 2.608 ( -8.326 -2.131 11.086) 14.027 3.302 ( -5.068 0.156 -3.461) 6.139 3.361 ( -8.710 -0.286 -10.567) 13.697 3.555 ( 4.382 -0.429 14.362) 15.022 3.708 ( 4.111 3.245 3.095) 6.084 3.789 ( 7.842 -3.963 -4.319) 9.790 3.902 ( 1.635 -1.856 -8.996) 9.330 4.233 ( 0.767 2.639 -1.935) 3.361 4.282 ( 0.832 -2.525 -3.270) 4.214 5.217 ( 2.280 0.175 5.731) 6.170 5.335 ( -2.589 -1.977 -4.605) 5.641 7.066 ( 5.194 4.715 5.117) 8.683 7.114 ( 3.045 -0.237 10.240) 10.686 7.180 ( 10.436 -1.952 -3.098) 11.060 7.360 ( -1.311 -0.786 -13.162) 13.251 8.086 ( 0.355 -1.197 7.351) 7.456 8.229 ( -3.410 -1.743 -8.350) 9.186 9.948 ( 3.998 7.637 4.829) 9.881 10.253 ( 9.676 -8.784 -12.208) 17.884 11.555 ( 13.029 0.793 13.843) 19.026 11.840 ( 9.949 1.371 -18.627) 21.162 13.211 ( -8.949 11.298 4.284) 15.036 13.394 ( -8.255 -3.007 1.445) 8.904 13.759 ( -0.797 -0.086 1.010) 1.289 13.852 ( -1.956 -7.345 0.758) 7.638 20.032 ( -9.174 0.773 1.242) 9.290 20.064 ( -8.663 -1.030 -0.452) 8.736 21.078 ( -9.671 0.184 15.943) 18.647 21.357 ( -8.488 -1.518 -14.444) 16.822 21.711 ( 8.926 3.974 4.179) 10.627 21.843 ( 7.125 -2.381 -4.226) 8.620 22.364 ( -1.313 0.762 1.931) 2.456 22.385 ( -2.296 1.296 -0.512) 2.685 ======================= Grid point 172 (75/171) ======================= q-point: (-0.50 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 7.313 -0.000 -2.765) 7.818 1.106 ( 7.313 0.000 2.765) 7.818 1.480 ( -4.820 -0.000 -0.673) 4.866 1.480 ( -4.820 0.000 0.673) 4.866 1.663 ( 3.253 -0.000 -4.801) 5.799 1.663 ( 3.253 0.000 4.801) 5.799 2.158 ( -5.487 -0.000 -7.291) 9.125 2.158 ( -5.487 0.000 7.291) 9.125 2.743 ( -4.354 -0.000 -5.365) 6.910 2.743 ( -4.354 0.000 5.365) 6.910 3.355 ( -1.811 -0.000 -7.337) 7.557 3.355 ( -1.811 0.000 7.337) 7.557 3.618 ( 0.061 -0.000 -5.254) 5.255 3.618 ( 0.061 0.000 5.254) 5.255 3.790 ( 0.861 -0.000 -9.915) 9.953 3.790 ( 0.861 0.000 9.915) 9.953 4.234 ( 1.044 -0.000 -2.574) 2.778 4.234 ( 1.044 0.000 2.574) 2.778 5.263 ( 1.485 -0.000 -9.829) 9.941 5.263 ( 1.485 0.000 9.829) 9.941 6.957 ( 10.282 -0.000 -4.515) 11.230 6.957 ( 10.282 0.000 4.515) 11.230 7.270 ( -2.187 -0.000 -13.695) 13.868 7.270 ( -2.187 0.000 13.695) 13.868 8.181 ( -2.170 -0.000 -11.037) 11.249 8.181 ( -2.170 0.000 11.037) 11.249 9.995 ( 4.109 -0.000 -6.754) 7.906 9.995 ( 4.109 0.000 6.754) 7.906 11.540 ( 8.561 -0.000 -19.721) 21.499 11.540 ( 8.561 0.000 19.721) 21.499 13.455 ( -7.138 0.000 -1.023) 7.211 13.455 ( -7.138 0.000 1.023) 7.211 13.800 ( 0.177 0.000 -0.047) 0.183 13.800 ( 0.177 0.000 0.047) 0.183 20.214 ( -12.045 -0.000 -0.007) 12.045 20.214 ( -12.045 0.000 0.007) 12.045 21.323 ( -4.196 -0.000 -15.032) 15.607 21.323 ( -4.196 0.000 15.032) 15.607 21.655 ( 7.688 -0.000 -6.422) 10.017 21.655 ( 7.688 0.000 6.422) 10.017 22.408 ( -1.451 -0.000 -2.438) 2.837 22.408 ( -1.451 0.000 2.438) 2.837 ======================= Grid point 180 (76/171) ======================= q-point: ( 0.20 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -3.102 0.309 -4.560) 5.524 1.090 ( -5.886 1.872 -4.166) 7.450 1.461 ( 0.592 -0.081 4.511) 4.551 1.555 ( -2.370 -2.434 6.015) 6.909 1.587 ( 0.406 2.289 3.745) 4.408 1.685 ( -2.652 1.964 7.022) 7.759 1.750 ( -7.509 -0.059 11.353) 13.611 1.958 ( -2.822 1.870 -6.298) 7.150 2.035 ( -0.741 1.893 -8.250) 8.497 2.374 ( -2.996 -3.486 -1.260) 4.766 2.827 ( -15.625 2.632 -15.954) 22.485 2.939 ( -10.800 0.964 -9.458) 14.389 3.709 ( 6.169 7.212 3.253) 10.032 3.862 ( 6.964 2.619 8.039) 10.954 4.075 ( 3.201 -0.941 0.620) 3.394 4.209 ( 2.257 -1.659 2.870) 4.010 4.377 ( 6.622 -1.907 -2.714) 7.406 4.493 ( 2.011 -4.653 -8.536) 9.927 4.965 ( -10.766 2.239 -0.675) 11.017 5.329 ( -1.909 -7.005 -2.378) 7.640 6.708 ( -2.244 8.228 5.267) 10.024 7.277 ( 3.014 -0.326 5.695) 6.451 7.531 ( -1.502 -3.740 0.926) 4.135 7.687 ( 6.714 -3.304 1.364) 7.606 8.093 ( -2.175 0.202 -1.387) 2.587 8.431 ( 6.094 -4.418 -2.077) 7.808 9.952 ( 10.863 11.233 7.753) 17.444 11.192 ( 11.847 -9.912 7.467) 17.157 12.136 ( 5.216 -0.372 1.349) 5.401 12.400 ( -3.041 7.820 7.442) 11.215 12.460 ( 13.139 4.209 -14.546) 20.048 12.921 ( -10.309 -2.191 8.546) 13.569 13.723 ( -3.112 -0.017 -2.487) 3.984 13.823 ( -1.971 1.094 -6.139) 6.539 19.915 ( 5.031 -0.315 3.626) 6.209 20.122 ( 7.870 -0.089 -7.937) 11.178 20.378 ( -11.465 0.844 10.762) 15.747 21.106 ( -13.635 -9.683 -12.879) 21.107 21.891 ( 4.349 2.236 2.092) 5.319 21.968 ( -4.857 -0.984 -1.679) 5.232 22.251 ( -0.833 2.446 0.260) 2.597 22.263 ( -0.477 2.342 -0.434) 2.429 ======================= Grid point 181 (77/171) ======================= q-point: ( 0.30 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -7.940 2.390 0.730) 8.324 1.172 ( -6.944 0.048 -2.038) 7.237 1.442 ( 5.344 -1.795 3.826) 6.813 1.521 ( 1.902 -3.584 -1.082) 4.199 1.720 ( -3.030 1.374 12.777) 13.203 1.779 ( -2.238 2.163 3.820) 4.927 1.917 ( 1.065 -1.035 -5.883) 6.068 1.950 ( -4.254 1.387 -6.391) 7.801 2.145 ( -11.529 3.772 11.519) 16.728 2.414 ( -6.928 -2.897 0.831) 7.556 2.971 ( -14.971 1.935 -9.407) 17.786 3.040 ( -11.137 -0.359 -6.363) 12.831 3.697 ( 7.041 6.562 3.469) 10.231 3.851 ( 7.370 1.751 9.560) 12.197 3.995 ( 4.858 1.204 -5.361) 7.334 4.185 ( 7.520 -5.019 -4.322) 10.021 4.207 ( 1.496 -2.055 3.209) 4.094 4.359 ( 0.787 -3.321 -7.597) 8.328 5.143 ( -10.153 0.782 0.439) 10.192 5.281 ( -1.188 -5.104 -1.136) 5.362 6.884 ( -3.124 9.093 6.135) 11.406 7.260 ( 3.047 -0.433 2.343) 3.868 7.488 ( 2.761 -4.437 -0.383) 5.240 7.535 ( 9.345 -2.716 -0.933) 9.776 8.101 ( -1.263 -0.324 -1.995) 2.383 8.286 ( 4.304 -4.709 -1.648) 6.589 9.963 ( 9.753 12.511 4.934) 16.613 10.881 ( 15.140 -14.619 -2.004) 21.142 11.967 ( 14.527 1.276 5.601) 15.622 12.162 ( 13.375 2.664 -13.803) 19.404 12.696 ( -9.620 12.417 5.002) 16.484 13.123 ( -10.337 -0.643 3.758) 11.018 13.759 ( -2.786 -2.771 1.144) 4.092 13.828 ( -5.073 -2.574 -3.116) 6.486 19.900 ( 0.731 -0.337 3.844) 3.928 19.978 ( 2.665 -0.306 -5.273) 5.916 20.687 ( -13.802 1.497 11.620) 18.104 21.118 ( -12.383 -7.835 -11.158) 18.418 21.856 ( 5.901 3.819 1.444) 7.175 21.995 ( -0.639 -1.101 -0.815) 1.512 22.289 ( -0.526 3.060 0.183) 3.111 22.294 ( -1.963 1.145 -0.069) 2.274 ======================= Grid point 182 (78/171) ======================= q-point: (-0.60 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( -9.929 4.821 -0.000) 11.038 1.255 ( -4.300 -0.171 -0.000) 4.303 1.341 ( 7.857 -0.759 0.000) 7.893 1.449 ( 0.752 -5.798 0.000) 5.846 1.781 ( 3.964 -0.769 0.000) 4.038 1.805 ( 2.480 -2.319 0.000) 3.396 1.935 ( -7.608 2.808 -0.000) 8.109 1.976 ( -3.677 1.349 -0.000) 3.917 2.419 ( -11.671 3.351 -0.000) 12.143 2.534 ( -9.894 -2.470 0.000) 10.198 3.150 ( -11.883 0.545 -0.000) 11.896 3.169 ( -10.227 -0.538 -0.000) 10.241 3.684 ( 5.352 6.151 -0.000) 8.154 3.810 ( 8.908 1.478 -0.000) 9.030 3.870 ( 5.453 -0.379 0.000) 5.466 3.972 ( 6.426 -8.425 0.000) 10.596 4.212 ( 0.337 1.132 -0.000) 1.181 4.295 ( -0.092 -2.604 0.000) 2.606 5.253 ( -0.009 -1.606 0.000) 1.606 5.273 ( -6.509 -1.495 0.000) 6.678 7.046 ( -1.659 9.314 -0.000) 9.460 7.231 ( 1.771 -0.026 0.000) 1.771 7.351 ( 9.430 -2.890 0.000) 9.863 7.356 ( 8.226 -4.283 0.000) 9.274 8.110 ( -1.848 -0.558 0.000) 1.930 8.198 ( 0.839 -4.157 0.000) 4.241 9.968 ( 8.118 12.725 -0.000) 15.094 10.497 ( 13.526 -14.943 0.000) 20.156 11.844 ( 12.545 2.837 -0.000) 12.862 11.874 ( 13.652 0.914 0.000) 13.683 12.978 ( -9.141 12.701 -0.000) 15.648 13.283 ( -9.345 -0.634 -0.000) 9.367 13.764 ( -1.431 -3.101 0.000) 3.415 13.861 ( -5.076 -5.770 0.000) 7.685 19.941 ( -3.180 0.142 -0.000) 3.183 19.961 ( -4.735 -0.707 -0.000) 4.787 20.983 ( -13.080 3.005 -0.000) 13.420 21.161 ( -10.437 -6.664 0.000) 12.383 21.805 ( 7.358 5.070 -0.000) 8.936 21.945 ( 4.369 -2.378 0.000) 4.974 22.333 ( -1.803 2.146 -0.000) 2.803 22.337 ( -2.041 1.189 -0.000) 2.362 ======================= Grid point 191 (79/171) ======================= q-point: ( 0.20 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -5.579 1.465 -0.927) 5.842 0.933 ( -6.621 3.810 -4.160) 8.698 1.406 ( -5.816 5.550 -1.850) 8.249 1.545 ( -3.125 0.094 4.991) 5.890 1.618 ( 0.685 -1.589 2.371) 2.935 1.686 ( -4.769 1.987 3.568) 6.279 1.782 ( -3.196 -2.031 11.375) 11.988 1.860 ( -1.417 3.221 -3.615) 5.045 1.912 ( -3.204 1.476 -6.978) 7.819 2.187 ( -14.774 -1.341 -19.770) 24.717 2.558 ( -3.890 -0.001 -0.163) 3.894 2.725 ( -9.568 -0.613 -3.799) 10.313 3.699 ( 3.306 10.604 -0.128) 11.108 3.992 ( 7.444 5.101 4.543) 10.102 4.141 ( 4.793 -0.738 -0.239) 4.856 4.334 ( 3.534 -2.165 6.560) 7.760 4.469 ( 2.231 -4.573 -1.944) 5.447 4.501 ( 4.413 -2.415 -5.957) 7.797 4.799 ( -8.929 -0.369 1.001) 8.993 5.344 ( -3.412 -9.161 -2.045) 9.987 6.606 ( -2.083 11.185 0.899) 11.413 7.375 ( 1.948 -3.057 3.877) 5.307 7.547 ( -1.454 -1.480 2.322) 3.114 7.760 ( -5.374 -8.255 -1.991) 10.049 8.105 ( 4.792 1.746 2.503) 5.681 8.555 ( 6.062 -4.189 -0.637) 7.396 10.059 ( 11.767 13.052 3.008) 17.829 11.591 ( 13.195 -11.022 15.411) 23.089 12.049 ( -10.997 5.071 2.661) 12.399 12.476 ( 10.904 3.392 -3.733) 12.014 12.538 ( 16.914 7.570 -4.795) 19.141 12.872 ( -8.951 -6.733 4.895) 12.223 13.621 ( -3.633 4.141 -4.083) 6.857 13.717 ( -2.307 3.446 -5.099) 6.572 20.050 ( 6.574 -0.188 4.059) 7.728 20.194 ( 9.296 0.040 -5.260) 10.681 20.278 ( -7.679 1.762 4.441) 9.044 20.889 ( -16.471 -13.672 -9.482) 23.412 21.863 ( -7.652 -0.560 -1.745) 7.869 21.937 ( 1.072 -0.604 0.577) 1.359 22.210 ( -0.901 2.509 -0.242) 2.677 22.238 ( 0.617 3.712 0.178) 3.767 ======================= Grid point 192 (80/171) ======================= q-point: ( 0.30 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -4.426 0.502 -0.000) 4.454 1.046 ( -7.764 0.429 -0.000) 7.776 1.532 ( -3.352 0.438 -0.000) 3.381 1.546 ( 3.377 -0.581 0.000) 3.426 1.633 ( -3.682 3.264 -0.000) 4.920 1.822 ( -2.578 1.505 -0.000) 2.985 1.860 ( -1.165 -0.468 0.000) 1.256 1.876 ( -2.381 0.371 -0.000) 2.409 2.011 ( -8.581 3.108 -0.000) 9.126 2.290 ( -12.092 -2.929 0.000) 12.442 2.678 ( -12.275 2.747 -0.000) 12.579 2.854 ( -10.847 -1.319 -0.000) 10.927 3.730 ( 5.569 9.607 -0.000) 11.104 3.969 ( 5.236 5.255 -0.000) 7.418 4.036 ( 7.337 0.397 0.000) 7.347 4.317 ( 3.648 -5.883 0.000) 6.922 4.338 ( 3.548 -2.124 0.000) 4.135 4.354 ( 5.121 -4.842 0.000) 7.047 4.966 ( -11.424 0.983 -0.000) 11.466 5.306 ( -2.881 -7.808 0.000) 8.323 6.760 ( -3.043 11.374 -0.000) 11.775 7.328 ( 2.270 -3.122 0.000) 3.860 7.550 ( 0.625 -2.034 0.000) 2.128 7.686 ( 4.298 -6.511 0.000) 7.802 8.084 ( 0.813 0.945 -0.000) 1.247 8.410 ( 6.510 -4.754 0.000) 8.062 10.023 ( 11.432 13.770 -0.000) 17.898 11.276 ( 16.811 -15.839 0.000) 23.097 12.151 ( 6.692 3.237 -0.000) 7.433 12.287 ( 13.752 1.708 0.000) 13.857 12.491 ( -1.329 14.064 -0.000) 14.127 12.998 ( -10.546 -3.403 0.000) 11.081 13.718 ( -7.043 0.180 -0.000) 7.045 13.746 ( -2.359 -0.012 -0.000) 2.359 19.979 ( 5.087 0.083 0.000) 5.088 20.021 ( 7.415 -0.531 0.000) 7.434 20.507 ( -13.554 2.411 -0.000) 13.767 20.958 ( -14.243 -11.770 0.000) 18.477 21.909 ( 3.747 1.840 -0.000) 4.174 21.953 ( -4.992 -0.253 -0.000) 4.998 22.250 ( -1.897 1.607 -0.000) 2.486 22.262 ( 0.651 3.515 -0.000) 3.575 ======================= Grid point 201 (81/171) ======================= q-point: ( 0.20 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -11.059 3.942 -0.000) 11.741 0.741 ( -8.683 7.540 -0.000) 11.500 1.197 ( -10.579 11.513 -0.000) 15.636 1.502 ( -11.180 2.160 -0.000) 11.386 1.578 ( 0.703 -2.377 0.000) 2.478 1.660 ( 0.784 -1.922 0.000) 2.075 1.776 ( -2.841 0.983 -0.000) 3.007 1.834 ( -12.285 0.028 -0.000) 12.285 1.852 ( 0.678 -1.903 0.000) 2.020 1.877 ( -0.522 1.231 -0.000) 1.337 2.574 ( 1.217 -2.292 0.000) 2.595 2.581 ( -8.154 -0.792 -0.000) 8.192 3.651 ( 4.968 11.356 -0.000) 12.395 4.067 ( 7.014 6.450 -0.000) 9.529 4.218 ( 3.361 -0.451 0.000) 3.392 4.398 ( 1.996 1.903 -0.000) 2.758 4.530 ( -2.300 -10.217 0.000) 10.472 4.546 ( 0.673 -1.361 0.000) 1.518 4.735 ( -1.881 -2.015 0.000) 2.756 5.372 ( -3.285 -10.229 0.000) 10.743 6.470 ( -1.447 12.029 -0.000) 12.116 7.445 ( 0.348 -3.747 0.000) 3.763 7.555 ( -0.152 -0.193 0.000) 0.245 7.658 ( -17.010 -9.988 0.000) 19.725 8.204 ( 6.611 0.638 0.000) 6.642 8.672 ( 4.538 -3.506 0.000) 5.735 10.118 ( 10.312 12.546 -0.000) 16.240 11.818 ( -11.976 4.863 -0.000) 12.926 11.999 ( 12.485 -10.102 0.000) 16.060 12.550 ( 6.905 3.602 -0.000) 7.788 12.734 ( 20.127 8.487 -0.000) 21.843 12.861 ( -7.044 -11.656 0.000) 13.619 13.511 ( 3.620 11.047 -0.000) 11.625 13.611 ( -2.493 6.075 -0.000) 6.567 20.073 ( -6.364 0.328 -0.000) 6.372 20.260 ( 6.578 1.637 -0.000) 6.779 20.343 ( 11.899 0.145 0.000) 11.900 20.702 ( -20.775 -16.168 0.000) 26.325 21.727 ( -9.659 -0.967 -0.000) 9.708 21.944 ( -2.494 -3.056 0.000) 3.944 22.182 ( 1.140 3.702 -0.000) 3.873 22.212 ( 0.437 3.550 -0.000) 3.577 ======================= Grid point 211 (82/171) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 0.000 9.924 -0.000) 9.924 0.479 ( 0.000 12.204 -0.000) 12.204 0.983 ( 0.000 24.111 -0.000) 24.111 1.317 ( -0.000 -4.213 0.000) 4.213 1.612 ( -0.000 -3.001 0.000) 3.001 1.647 ( 0.000 4.288 -0.000) 4.288 1.699 ( -0.000 -1.967 0.000) 1.967 1.720 ( -0.000 -0.546 0.000) 0.546 1.839 ( -0.000 -2.571 0.000) 2.571 1.907 ( 0.000 1.514 -0.000) 1.514 2.439 ( -0.000 -0.324 0.000) 0.324 2.586 ( -0.000 -3.856 0.000) 3.856 3.853 ( -0.000 -0.552 0.000) 0.552 4.227 ( -0.000 -0.853 0.000) 0.853 4.277 ( 0.000 5.738 -0.000) 5.738 4.285 ( 0.000 8.244 -0.000) 8.244 4.407 ( -0.000 -4.495 0.000) 4.495 4.527 ( -0.000 -3.579 0.000) 3.579 4.760 ( 0.000 0.845 -0.000) 0.845 5.324 ( -0.000 -10.361 0.000) 10.361 6.460 ( 0.000 12.649 -0.000) 12.649 7.228 ( 0.000 6.811 -0.000) 6.811 7.435 ( -0.000 -3.377 0.000) 3.377 7.565 ( -0.000 -0.573 0.000) 0.573 8.313 ( -0.000 -0.078 0.000) 0.078 8.742 ( -0.000 -3.484 0.000) 3.484 10.316 ( 0.000 14.366 -0.000) 14.366 11.595 ( 0.000 4.636 -0.000) 4.636 12.233 ( -0.000 -1.883 0.000) 1.883 12.612 ( -0.000 -17.649 0.000) 17.649 12.752 ( -0.000 -0.000 0.000) 0.000 12.952 ( -0.000 -1.266 0.000) 1.266 13.576 ( 0.000 7.784 -0.000) 7.784 13.915 ( -0.000 -0.601 0.000) 0.601 19.950 ( 0.000 0.866 -0.000) 0.866 20.164 ( -0.000 -1.339 0.000) 1.339 20.411 ( 0.000 1.383 -0.000) 1.383 20.624 ( -0.000 -1.654 0.000) 1.654 21.496 ( 0.000 1.032 -0.000) 1.032 21.868 ( -0.000 -4.089 0.000) 4.089 22.217 ( 0.000 3.618 -0.000) 3.618 22.218 ( 0.000 3.287 -0.000) 3.287 ======================= Grid point 212 (83/171) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( -4.275 8.974 7.782) 12.624 0.722 ( -8.143 7.090 11.164) 15.531 1.261 ( -3.599 16.662 6.491) 18.240 1.385 ( -6.271 -1.750 9.034) 11.136 1.578 ( 0.641 -3.392 2.901) 4.509 1.654 ( 1.208 -1.192 -0.823) 1.886 1.727 ( -1.704 0.590 1.350) 2.252 1.744 ( -4.202 -0.323 3.723) 5.623 1.859 ( -2.640 -1.230 6.488) 7.112 1.919 ( 0.553 3.021 1.628) 3.476 2.464 ( -4.308 -0.628 -2.091) 4.830 2.557 ( -0.874 -3.702 1.526) 4.099 3.809 ( 4.391 5.420 -0.370) 6.985 4.185 ( 2.119 2.673 -6.311) 7.173 4.265 ( 3.979 1.329 -2.299) 4.784 4.379 ( -2.357 -1.648 -3.019) 4.169 4.430 ( -2.551 1.951 3.105) 4.467 4.497 ( -2.662 -1.948 -0.403) 3.324 4.738 ( 2.475 -0.427 -1.420) 2.885 5.258 ( -1.343 -10.130 4.735) 11.262 6.580 ( 0.263 12.105 0.809) 12.134 7.359 ( -5.792 -0.807 -4.415) 7.328 7.429 ( -4.897 -0.689 3.274) 5.930 7.554 ( -0.554 -0.598 -0.820) 1.156 8.273 ( 3.515 0.817 -3.552) 5.063 8.686 ( 2.251 -4.302 -0.370) 4.869 10.398 ( 8.291 16.047 -0.334) 18.065 11.638 ( -7.573 4.697 -15.664) 18.021 12.031 ( 9.053 -5.334 -15.524) 18.746 12.522 ( -8.171 -12.698 -3.515) 15.504 12.729 ( 3.527 -0.214 0.404) 3.557 12.923 ( 3.112 -1.619 1.519) 3.823 13.673 ( -0.078 6.257 5.630) 8.418 13.815 ( 12.494 5.120 7.377) 15.387 20.012 ( -1.175 0.255 4.024) 4.200 20.307 ( -12.232 -4.795 4.760) 13.974 20.396 ( 1.951 -0.391 5.344) 5.703 20.538 ( 8.601 -1.656 2.566) 9.128 21.592 ( -8.074 0.160 2.762) 8.535 21.862 ( -3.258 -4.038 1.158) 5.316 22.237 ( 1.212 3.616 -0.686) 3.875 22.247 ( 0.072 3.408 -0.394) 3.431 ======================= Grid point 213 (84/171) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -4.064 6.641 6.686) 10.263 0.949 ( -3.554 3.680 10.477) 11.660 1.426 ( -0.772 -2.383 -4.047) 4.759 1.439 ( -1.290 4.630 4.577) 6.637 1.568 ( 0.429 -1.245 -3.497) 3.736 1.679 ( -0.797 1.271 3.336) 3.658 1.727 ( 2.351 -0.172 0.221) 2.367 1.911 ( -0.399 2.905 4.684) 5.526 1.932 ( -5.652 1.781 10.077) 11.691 2.159 ( -13.395 0.294 22.976) 26.597 2.476 ( -3.912 -1.310 -3.014) 5.109 2.641 ( -7.881 -0.798 7.847) 11.150 3.827 ( 2.148 8.230 -0.970) 8.561 4.077 ( 5.017 1.205 -8.775) 10.180 4.189 ( 4.369 0.464 -3.134) 5.397 4.314 ( 3.722 -1.005 -5.762) 6.933 4.430 ( -2.395 -4.720 -1.221) 5.432 4.617 ( 1.870 3.047 7.728) 8.515 4.694 ( -3.689 1.116 -0.228) 3.861 5.250 ( -2.232 -9.047 7.214) 11.784 6.677 ( 0.332 9.700 -2.049) 9.919 7.318 ( -0.481 -3.400 -4.824) 5.921 7.494 ( -0.969 -0.177 -2.501) 2.688 7.624 ( -7.665 -2.331 2.437) 8.374 8.177 ( 5.393 2.765 -5.203) 7.988 8.593 ( 3.872 -4.839 0.024) 6.197 10.344 ( 13.805 14.470 -6.517) 21.034 11.499 ( 5.777 -4.702 -21.464) 22.720 11.870 ( -9.376 4.405 -14.569) 17.876 12.477 ( -8.399 -11.850 -12.846) 19.390 12.674 ( 6.045 2.306 3.956) 7.584 12.865 ( 5.803 -1.403 5.106) 7.856 13.749 ( 4.399 4.452 8.273) 10.374 13.837 ( 3.783 5.301 11.845) 13.517 20.043 ( -1.346 0.054 -2.645) 2.968 20.249 ( 7.738 1.049 -2.077) 8.080 20.427 ( 9.935 -0.278 7.860) 12.671 20.634 ( -16.513 -9.381 15.227) 24.342 21.747 ( -8.792 -0.665 2.632) 9.202 21.895 ( -3.464 -2.847 0.871) 4.568 22.244 ( 1.095 3.268 -0.596) 3.497 22.272 ( 0.153 3.145 -0.652) 3.215 ======================= Grid point 214 (85/171) ======================= q-point: ( 0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -1.748 3.881 9.100) 10.046 1.097 ( -1.667 0.927 9.712) 9.897 1.391 ( -3.689 0.420 -9.446) 10.149 1.462 ( 1.860 -0.515 -2.084) 2.840 1.514 ( -0.521 -2.134 -3.070) 3.775 1.669 ( 5.063 0.376 0.097) 5.078 1.731 ( 0.048 2.608 1.947) 3.255 1.979 ( -2.249 1.342 3.802) 4.617 2.106 ( -2.655 1.975 10.013) 10.546 2.332 ( 0.236 -2.758 0.757) 2.869 2.763 ( -16.999 2.746 20.510) 26.780 2.887 ( -10.822 0.589 14.698) 18.262 3.812 ( 5.987 5.020 -7.764) 11.015 3.932 ( 6.395 2.709 -7.763) 10.417 4.078 ( 5.027 -1.274 -5.802) 7.782 4.208 ( 1.105 -0.697 -2.202) 2.560 4.415 ( -1.731 -3.835 -0.651) 4.258 4.583 ( 5.406 -0.319 4.788) 7.229 4.890 ( -7.559 5.247 7.723) 12.013 5.269 ( -1.886 -7.101 7.175) 10.269 6.698 ( 0.650 4.851 -7.518) 8.971 7.261 ( 0.130 0.384 -4.802) 4.819 7.466 ( -0.105 -2.200 -2.985) 3.710 7.690 ( -2.085 -2.729 0.145) 3.437 8.114 ( 2.119 4.003 -1.011) 4.641 8.487 ( 4.604 -4.738 1.212) 6.717 10.141 ( 14.152 9.092 -15.421) 22.820 11.205 ( 7.804 -3.818 -8.363) 12.058 11.994 ( -14.730 5.854 -15.375) 22.082 12.335 ( -1.590 -9.100 -12.601) 15.624 12.667 ( 0.350 2.476 -0.227) 2.511 12.817 ( 5.756 -1.325 7.410) 9.476 13.790 ( 3.815 2.272 8.124) 9.258 13.924 ( 3.136 3.042 9.908) 10.828 19.975 ( 5.879 -0.340 -3.096) 6.653 20.186 ( -2.284 0.822 -4.718) 5.306 20.353 ( 10.081 -0.134 10.400) 14.485 20.924 ( -15.097 -7.327 14.364) 22.090 21.876 ( -6.857 -1.422 1.003) 7.074 21.915 ( -0.776 -0.132 -0.554) 0.963 22.260 ( -0.135 2.219 0.049) 2.224 22.288 ( 0.245 2.411 -0.894) 2.583 ======================= Grid point 215 (86/171) ======================= q-point: ( 0.60 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 0.595 2.429 12.086) 12.342 1.188 ( -2.009 -0.050 3.438) 3.983 1.346 ( 0.878 -0.678 -8.172) 8.247 1.374 ( 2.972 -1.571 -3.111) 4.580 1.520 ( -5.880 -0.238 -5.563) 8.098 1.587 ( 5.832 -0.475 1.055) 5.946 1.757 ( 0.448 2.174 0.119) 2.222 2.043 ( -2.117 -0.046 1.383) 2.529 2.243 ( -0.984 1.799 11.577) 11.757 2.287 ( 0.779 -1.422 -3.934) 4.255 3.151 ( -9.323 1.771 13.917) 16.845 3.188 ( -9.137 0.849 14.929) 17.524 3.598 ( 10.606 0.000 -14.814) 18.219 3.770 ( 8.049 1.487 -7.667) 11.216 3.982 ( -0.185 -1.846 -1.211) 2.216 4.239 ( -1.895 2.936 1.318) 3.734 4.390 ( -0.243 -2.919 -1.961) 3.525 4.566 ( 3.315 0.193 7.949) 8.615 5.089 ( -4.335 3.276 4.327) 6.946 5.302 ( -1.405 -3.561 7.880) 8.760 6.630 ( 0.005 0.133 -10.882) 10.883 7.237 ( 1.823 4.351 -3.795) 6.054 7.412 ( -1.940 -4.338 -3.604) 5.964 7.667 ( 3.231 -0.065 1.909) 3.753 8.171 ( -2.290 3.432 3.982) 5.734 8.393 ( 4.305 -4.406 3.216) 6.949 9.866 ( 9.109 3.228 -17.541) 20.027 11.062 ( 6.009 -0.616 3.368) 6.916 12.052 ( 2.765 -2.896 -4.930) 6.352 12.245 ( -14.259 0.913 -17.994) 22.977 12.694 ( -4.169 2.248 -5.850) 7.527 12.792 ( 5.103 -1.140 8.505) 9.984 13.806 ( 3.968 0.438 6.035) 7.236 13.956 ( 4.400 1.053 6.253) 7.718 19.867 ( 4.512 -0.244 -1.058) 4.641 20.209 ( -6.000 0.557 -7.522) 9.638 20.293 ( 9.456 -0.329 10.595) 14.205 21.201 ( -13.456 -4.327 12.068) 18.586 21.888 ( 2.673 2.153 -2.749) 4.397 21.958 ( -4.359 -1.913 0.168) 4.764 22.280 ( -0.209 1.871 -1.554) 2.441 22.297 ( -0.298 0.901 -0.234) 0.977 ======================= Grid point 216 (87/171) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 6.751 0.930 -4.780) 8.323 1.202 ( 8.806 -2.279 2.252) 9.371 1.236 ( -3.025 0.404 2.355) 3.854 1.379 ( -4.708 0.217 1.542) 4.959 1.515 ( 3.611 -1.157 1.443) 4.057 1.567 ( -6.055 0.254 -5.785) 8.378 1.765 ( 0.135 1.137 -0.581) 1.283 2.076 ( -1.719 -0.041 0.071) 1.721 2.206 ( 2.876 -0.509 -7.096) 7.674 2.361 ( 0.439 0.906 11.345) 11.389 3.230 ( 9.657 -0.793 -14.438) 17.388 3.261 ( 3.315 -0.593 -4.056) 5.272 3.456 ( -2.533 0.658 7.059) 7.528 3.653 ( 0.150 -0.302 -1.610) 1.645 4.017 ( -2.374 0.003 5.029) 5.561 4.283 ( -0.283 2.513 -4.432) 5.103 4.342 ( 1.034 -2.139 1.203) 2.663 4.634 ( -0.680 0.726 10.672) 10.719 5.102 ( 3.545 0.031 -5.264) 6.347 5.404 ( -2.509 0.299 10.123) 10.434 6.541 ( -1.647 -1.164 -10.613) 10.803 7.195 ( 4.073 1.965 -0.778) 4.588 7.448 ( -8.245 -1.531 1.313) 8.488 7.636 ( 4.871 0.496 4.424) 6.599 8.257 ( 4.059 3.601 5.314) 7.595 8.365 ( -3.103 -3.700 6.116) 7.792 9.667 ( 1.143 0.221 -12.817) 12.870 11.051 ( 4.038 0.341 11.219) 11.928 11.881 ( 10.692 -3.054 0.904) 11.156 12.367 ( -17.627 1.564 -18.149) 25.349 12.732 ( -9.000 1.611 -13.050) 15.934 12.789 ( 5.613 -0.483 11.837) 13.109 13.780 ( 4.695 -0.361 3.295) 5.747 13.916 ( 5.962 -0.194 1.765) 6.221 19.830 ( -0.347 -0.065 0.443) 0.566 20.230 ( 5.753 0.679 6.116) 8.424 20.252 ( -4.453 -0.734 -5.877) 7.410 21.458 ( -11.692 -1.680 9.412) 15.103 21.818 ( 6.136 2.427 -3.018) 7.256 21.990 ( -2.633 -1.625 -0.815) 3.200 22.270 ( -0.156 1.273 -4.467) 4.647 22.304 ( 0.219 0.202 -0.508) 0.589 ======================= Grid point 217 (88/171) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 10.073 -0.000 -7.816) 12.750 1.011 ( 10.415 -0.000 -5.981) 12.010 1.364 ( -1.653 0.000 12.998) 13.102 1.474 ( 2.405 0.000 1.526) 2.848 1.483 ( -6.980 -0.000 -1.086) 7.064 1.609 ( -5.473 -0.000 -4.813) 7.289 1.766 ( -0.387 -0.000 -0.960) 1.035 2.066 ( 5.304 -0.000 -9.996) 11.316 2.088 ( -0.042 -0.000 -1.474) 1.474 2.441 ( 0.978 0.000 9.106) 9.159 2.928 ( 9.284 -0.000 -14.164) 16.935 3.063 ( 11.137 -0.000 -16.490) 19.898 3.466 ( 0.913 -0.000 -3.304) 3.428 3.735 ( -3.875 0.000 5.839) 7.008 4.108 ( -1.497 0.000 7.833) 7.975 4.229 ( -1.920 -0.000 -8.583) 8.796 4.370 ( 0.722 0.000 7.775) 7.809 4.749 ( -1.591 0.000 9.480) 9.613 4.936 ( 7.999 -0.000 -10.165) 12.935 5.520 ( -1.622 0.000 8.347) 8.503 6.468 ( -1.054 -0.000 -11.055) 11.105 7.188 ( 0.159 0.000 5.887) 5.890 7.600 ( 4.565 0.000 3.817) 5.951 7.634 ( -10.568 0.000 8.327) 13.454 8.222 ( 9.033 0.000 8.918) 12.693 8.487 ( -6.304 0.000 5.179) 8.158 9.625 ( -6.340 -0.000 -6.401) 9.009 11.131 ( 1.643 0.000 17.107) 17.186 11.717 ( 13.070 0.000 7.066) 14.858 12.469 ( -14.837 -0.000 -17.622) 23.036 12.765 ( -13.631 -0.000 -20.967) 25.008 12.823 ( 5.623 0.000 16.298) 17.241 13.714 ( 5.444 -0.000 -0.244) 5.450 13.806 ( 7.439 -0.000 -2.972) 8.011 19.883 ( -5.468 0.000 1.452) 5.658 20.179 ( 8.274 0.000 8.152) 11.616 20.287 ( -9.166 -0.000 -10.950) 14.280 21.685 ( -9.780 0.000 6.979) 12.015 21.690 ( 9.037 -0.000 -2.646) 9.416 22.003 ( -1.411 -0.000 -1.349) 1.952 22.234 ( -0.882 -0.000 -6.888) 6.944 22.276 ( 2.152 -0.000 -2.012) 2.946 ======================= Grid point 222 (89/171) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 0.000 9.453 10.331) 14.003 0.707 ( 0.000 10.845 16.162) 19.463 1.199 ( 0.000 13.946 27.833) 31.131 1.502 ( 0.000 -3.438 15.862) 16.230 1.635 ( -0.000 -2.921 -2.961) 4.159 1.694 ( 0.000 -0.595 7.177) 7.202 1.730 ( 0.000 -1.593 2.195) 2.712 1.759 ( 0.000 3.220 13.865) 14.234 1.903 ( 0.000 -2.480 6.625) 7.074 1.907 ( 0.000 2.880 0.949) 3.032 2.406 ( -0.000 0.368 -3.348) 3.368 2.598 ( 0.000 -3.751 1.702) 4.119 3.841 ( -0.000 -0.168 -1.283) 1.294 4.042 ( -0.000 8.133 -15.945) 17.900 4.219 ( -0.000 6.129 -3.239) 6.932 4.361 ( -0.000 -4.058 -5.910) 7.169 4.392 ( 0.000 6.594 6.865) 9.518 4.481 ( -0.000 -1.682 -3.489) 3.873 4.741 ( -0.000 -1.296 -3.471) 3.705 5.392 ( 0.000 -8.834 6.911) 11.216 6.498 ( 0.000 10.575 4.402) 11.454 7.253 ( 0.000 3.671 2.286) 4.325 7.433 ( -0.000 -1.407 0.182) 1.419 7.529 ( -0.000 -0.718 -4.907) 4.959 8.249 ( -0.000 0.411 -7.217) 7.228 8.733 ( -0.000 -3.385 -1.237) 3.603 10.343 ( 0.000 12.828 3.425) 13.277 11.361 ( -0.000 3.413 -23.936) 24.178 11.861 ( -0.000 1.654 -37.246) 37.282 12.561 ( -0.000 -13.866 -8.596) 16.315 12.769 ( 0.000 0.746 4.443) 4.505 12.998 ( 0.000 -4.169 6.619) 7.823 13.675 ( 0.000 7.901 9.992) 12.738 13.936 ( 0.000 6.027 2.341) 6.465 20.194 ( 0.000 -1.073 3.357) 3.525 20.244 ( 0.000 -9.307 19.588) 21.686 20.482 ( 0.000 -2.019 12.234) 12.400 20.645 ( 0.000 -1.748 2.500) 3.050 21.573 ( 0.000 -2.628 7.783) 8.214 21.891 ( 0.000 -4.186 2.261) 4.758 22.203 ( -0.000 3.720 -1.266) 3.930 22.213 ( 0.000 3.088 -0.187) 3.094 ======================= Grid point 223 (90/171) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.783 7.857 10.436) 13.087 0.942 ( -1.353 10.972 10.768) 15.432 1.451 ( 2.696 2.216 10.406) 10.975 1.519 ( 5.229 -1.884 1.300) 5.708 1.602 ( -0.760 -3.450 4.623) 5.818 1.709 ( 1.297 -0.710 5.311) 5.513 1.831 ( 5.575 0.503 8.953) 10.559 1.917 ( -6.231 2.339 12.748) 14.381 1.947 ( 2.833 2.829 8.882) 9.743 2.130 ( -15.880 0.962 24.257) 29.009 2.412 ( -2.226 -0.084 -3.015) 3.749 2.623 ( -4.604 -2.149 7.509) 9.066 3.792 ( 4.223 6.426 -1.926) 7.927 4.019 ( -0.859 2.429 -10.663) 10.970 4.205 ( 3.259 2.293 -4.637) 6.114 4.285 ( -0.786 -1.043 -7.667) 7.777 4.387 ( -1.659 -2.068 -6.520) 7.039 4.606 ( -3.037 6.914 10.197) 12.689 4.685 ( 0.434 -0.888 -3.847) 3.972 5.386 ( -0.053 -7.651 8.818) 11.675 6.610 ( 1.553 8.364 2.776) 8.948 7.276 ( -1.680 -2.440 -5.548) 6.290 7.460 ( -0.585 0.748 -2.020) 2.232 7.525 ( -6.893 -0.081 -0.617) 6.921 8.165 ( 3.245 2.292 -8.100) 9.021 8.672 ( 1.779 -3.951 -1.426) 4.562 10.383 ( 12.350 11.886 -1.744) 17.229 11.251 ( -9.027 2.833 -24.940) 26.674 11.554 ( -1.146 3.118 -34.338) 34.498 12.380 ( -4.844 -13.217 -13.081) 19.216 12.783 ( 3.894 -0.407 5.102) 6.432 13.002 ( 1.738 -4.567 7.216) 8.715 13.827 ( 1.841 6.626 10.687) 12.709 13.970 ( 6.616 7.023 8.761) 13.033 20.101 ( 7.305 -1.505 5.673) 9.370 20.350 ( 4.151 0.359 1.456) 4.413 20.616 ( 5.010 -0.701 7.212) 8.809 20.641 ( -11.749 -10.655 17.420) 23.559 21.668 ( -7.030 -2.542 5.034) 9.013 21.890 ( -2.237 -3.754 1.436) 4.600 22.221 ( 0.726 3.447 -0.726) 3.597 22.240 ( 0.095 2.923 0.019) 2.925 ======================= Grid point 224 (91/171) ======================= q-point: ( 0.50 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -2.220 5.853 8.268) 10.370 1.146 ( -1.259 7.825 11.520) 13.983 1.363 ( 4.912 -2.828 -3.363) 6.591 1.486 ( 3.185 0.214 -0.011) 3.192 1.592 ( 2.252 -4.314 5.424) 7.287 1.742 ( 1.376 1.413 4.097) 4.547 1.815 ( 7.298 -0.043 9.960) 12.348 1.978 ( 1.146 0.933 4.411) 4.652 2.121 ( -3.723 3.330 10.997) 12.078 2.371 ( 1.965 -1.905 -2.122) 3.463 2.677 ( -17.982 2.408 28.553) 33.829 2.855 ( -10.082 1.251 17.292) 20.055 3.774 ( 4.312 6.414 -6.249) 9.939 3.929 ( 3.361 0.956 -6.995) 7.819 4.111 ( 4.498 0.256 -5.204) 6.883 4.193 ( 1.571 -0.868 -8.227) 8.421 4.364 ( -4.188 -1.972 -5.890) 7.491 4.626 ( -0.103 0.306 -4.094) 4.107 4.846 ( -3.918 6.419 14.078) 15.961 5.393 ( 0.671 -5.900 8.311) 10.215 6.643 ( 2.633 3.834 -1.309) 4.832 7.205 ( -0.114 -0.831 -7.966) 8.010 7.441 ( -0.942 -0.293 -4.685) 4.788 7.628 ( -7.129 -2.353 -1.940) 7.754 8.095 ( 2.939 5.245 -2.912) 6.681 8.588 ( 2.862 -4.022 -0.819) 5.004 10.172 ( 16.218 6.604 -13.277) 21.975 11.162 ( 0.454 2.516 -16.400) 16.598 11.500 ( -18.228 5.919 -24.061) 30.760 12.226 ( -7.459 -12.624 -16.698) 22.222 12.735 ( 6.549 -0.467 3.582) 7.479 12.992 ( 3.110 -3.707 8.292) 9.600 13.909 ( 5.343 4.908 9.301) 11.795 14.034 ( 4.664 5.744 10.119) 12.536 20.036 ( 4.834 -0.671 1.720) 5.175 20.235 ( 9.630 0.904 0.296) 9.677 20.592 ( 7.731 -0.244 11.135) 13.558 20.895 ( -14.645 -9.343 13.916) 22.258 21.792 ( -7.864 -2.584 1.614) 8.433 21.899 ( -1.434 -1.409 -0.814) 2.170 22.239 ( 0.282 2.523 0.215) 2.548 22.264 ( 0.108 2.296 0.246) 2.312 ======================= Grid point 225 (92/171) ======================= q-point: ( 0.60 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -2.878 3.872 5.955) 7.664 1.222 ( 2.787 -1.966 -2.232) 4.076 1.338 ( 0.447 4.979 5.540) 7.462 1.419 ( 3.292 -1.056 1.116) 3.633 1.564 ( 2.752 -3.591 5.983) 7.501 1.743 ( 6.901 1.899 5.769) 9.193 1.781 ( 5.958 -0.747 8.431) 10.350 2.009 ( -2.259 0.039 -0.499) 2.313 2.267 ( -0.351 0.459 -0.150) 0.597 2.326 ( 0.795 1.280 9.099) 9.223 3.129 ( -9.683 2.018 19.215) 21.612 3.181 ( -8.699 2.015 18.130) 20.209 3.618 ( 7.781 -0.133 -13.072) 15.213 3.815 ( 8.669 3.426 -6.818) 11.548 3.996 ( 1.789 -1.705 -2.757) 3.702 4.165 ( -3.606 1.081 -3.323) 5.022 4.353 ( -3.164 -2.029 -5.742) 6.863 4.612 ( -0.046 1.761 -1.522) 2.328 5.072 ( -2.806 4.443 12.148) 13.236 5.400 ( 1.242 -2.920 7.142) 7.815 6.583 ( 2.318 -1.584 -5.047) 5.775 7.162 ( -1.480 2.625 -5.540) 6.307 7.390 ( -0.108 -2.043 -5.918) 6.262 7.667 ( -3.635 -0.984 -2.625) 4.590 8.136 ( -0.654 5.547 3.480) 6.581 8.504 ( 3.107 -3.434 0.465) 4.654 9.854 ( 11.763 1.435 -16.330) 20.176 11.084 ( 0.660 4.396 -5.952) 7.429 11.683 ( -21.124 4.776 -18.350) 28.386 12.084 ( -7.793 -11.541 -16.942) 21.930 12.647 ( 6.318 -0.081 0.032) 6.319 12.985 ( 4.080 -2.223 9.432) 10.514 13.929 ( 6.203 3.003 7.484) 10.174 14.077 ( 5.864 3.501 7.428) 10.090 19.954 ( 6.384 -0.306 0.637) 6.423 20.133 ( 3.358 0.553 -1.776) 3.839 20.562 ( 10.258 0.018 13.648) 17.073 21.143 ( -13.685 -6.447 10.711) 18.535 21.853 ( -2.401 -0.330 -4.242) 4.886 21.913 ( -3.116 -0.837 0.183) 3.232 22.252 ( 0.592 1.791 -0.996) 2.133 22.286 ( -0.322 1.037 1.009) 1.482 ======================= Grid point 226 (93/171) ======================= q-point: (-0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 2.642 1.872 -3.528) 4.789 1.171 ( 0.946 -0.849 -2.485) 2.791 1.303 ( -1.123 -0.862 -1.974) 2.429 1.488 ( 2.699 0.283 14.642) 14.891 1.552 ( 2.869 -0.592 6.436) 7.071 1.678 ( 10.853 -0.486 11.469) 15.798 1.772 ( 2.200 0.507 2.972) 3.732 2.036 ( -2.601 -0.090 -1.722) 3.121 2.193 ( 2.879 -0.276 -6.650) 7.252 2.454 ( 0.703 2.296 11.800) 12.042 3.266 ( 5.976 -0.222 -5.682) 8.249 3.310 ( 6.026 -1.884 -4.109) 7.533 3.488 ( -1.958 1.581 9.558) 9.884 3.649 ( 4.015 0.188 -5.662) 6.944 4.021 ( -3.054 0.448 5.313) 6.144 4.186 ( -2.068 0.750 -7.982) 8.279 4.344 ( -2.473 -0.225 -1.262) 2.786 4.638 ( -2.397 1.992 -1.048) 3.289 5.164 ( 4.696 0.393 5.258) 7.061 5.455 ( -0.846 1.756 8.332) 8.557 6.483 ( 0.439 -4.190 -5.946) 7.288 7.196 ( -0.406 4.111 -0.466) 4.157 7.353 ( -5.709 -3.101 -2.056) 6.815 7.686 ( -0.520 0.785 -0.544) 1.087 8.250 ( -2.306 4.955 5.049) 7.441 8.444 ( 2.202 -2.546 1.986) 3.908 9.605 ( 4.217 -1.382 -11.572) 12.394 11.119 ( -1.000 4.228 3.387) 5.508 11.884 ( -18.651 1.827 -14.730) 23.837 11.963 ( -7.445 -8.465 -14.586) 18.435 12.550 ( 3.173 0.218 -5.711) 6.537 12.990 ( 4.493 -0.652 10.317) 11.272 13.904 ( 6.925 1.288 5.027) 8.653 14.043 ( 7.961 1.457 3.745) 8.918 19.873 ( 4.535 -0.080 1.668) 4.833 20.099 ( -1.751 0.312 -4.991) 5.298 20.513 ( 11.965 -0.057 14.235) 18.596 21.374 ( -12.305 -3.606 8.014) 15.121 21.823 ( 2.544 4.022 -5.026) 6.922 21.946 ( -3.961 -3.178 -1.733) 5.366 22.234 ( 1.330 1.034 -2.929) 3.379 22.303 ( 0.088 0.356 0.472) 0.598 ======================= Grid point 227 (94/171) ======================= q-point: (-0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 8.709 -1.881 -6.159) 10.832 1.077 ( 4.017 0.994 -5.333) 6.750 1.370 ( -5.885 -0.825 0.982) 6.023 1.539 ( 3.078 -1.228 9.112) 9.696 1.586 ( 4.858 2.563 12.272) 13.445 1.631 ( 6.977 -1.630 12.354) 14.281 1.770 ( 1.661 0.441 2.269) 2.846 2.055 ( -1.695 0.122 -2.335) 2.888 2.063 ( 5.311 0.244 -9.136) 10.570 2.522 ( 2.252 1.183 4.554) 5.216 2.998 ( 10.615 -2.259 -7.804) 13.367 3.117 ( 12.222 -0.342 -12.490) 17.478 3.469 ( 3.149 -0.809 -4.255) 5.355 3.723 ( -4.821 0.349 7.010) 8.514 4.100 ( -1.806 1.043 -9.925) 10.142 4.153 ( -2.426 -0.618 6.998) 7.433 4.401 ( -2.498 0.830 3.302) 4.223 4.687 ( -4.945 1.451 -5.862) 7.805 5.063 ( 10.843 -0.406 2.533) 11.143 5.567 ( -1.038 2.296 7.935) 8.325 6.394 ( -0.135 -3.260 -6.730) 7.479 7.228 ( -0.477 1.014 4.222) 4.368 7.503 ( -12.012 -0.539 4.952) 13.003 7.686 ( 1.453 0.765 1.288) 2.087 8.353 ( 2.266 4.788 4.693) 7.077 8.442 ( -3.774 -2.054 2.418) 4.931 9.517 ( -3.158 -1.734 -3.592) 5.087 11.239 ( -2.677 1.749 10.921) 11.380 11.873 ( -1.347 -4.608 -3.436) 5.904 12.057 ( -18.501 0.179 -17.213) 25.271 12.459 ( -1.886 0.125 -13.392) 13.525 13.017 ( 3.855 0.468 11.118) 11.777 13.828 ( 7.977 0.158 2.151) 8.263 13.927 ( 10.082 0.098 -0.251) 10.086 19.857 ( -0.231 0.024 2.620) 2.630 20.099 ( -4.764 0.122 -7.093) 8.546 20.440 ( 12.858 -0.149 12.803) 18.146 21.587 ( -10.840 -1.293 5.578) 12.259 21.766 ( 6.073 4.753 -3.157) 8.333 21.944 ( -3.596 -3.195 -4.706) 6.729 22.186 ( 1.427 0.353 -4.273) 4.519 22.293 ( 1.573 0.147 -0.718) 1.735 ======================= Grid point 228 (95/171) ======================= q-point: (-0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 10.338 -0.000 -6.231) 12.070 0.950 ( 9.340 -0.000 -1.423) 9.448 1.460 ( -4.622 0.000 1.825) 4.969 1.524 ( 6.608 0.000 4.963) 8.264 1.628 ( 1.030 0.000 2.603) 2.799 1.664 ( 4.056 0.000 16.094) 16.597 1.771 ( 1.910 0.000 4.163) 4.580 1.887 ( 6.288 -0.000 -10.047) 11.853 2.024 ( 2.063 -0.000 -5.357) 5.740 2.503 ( -0.488 -0.000 -3.417) 3.452 2.734 ( 18.068 -0.000 -20.594) 27.397 2.827 ( 9.204 0.000 3.910) 10.000 3.384 ( 1.852 -0.000 -5.894) 6.179 3.811 ( -1.624 0.000 2.636) 3.096 4.090 ( -7.748 -0.000 -6.166) 9.902 4.252 ( -0.180 0.000 8.027) 8.029 4.475 ( -2.132 0.000 4.295) 4.795 4.696 ( -4.447 -0.000 -9.475) 10.467 4.932 ( 8.896 0.000 4.683) 10.053 5.646 ( 0.235 0.000 5.575) 5.580 6.306 ( 1.377 -0.000 -7.239) 7.369 7.321 ( -3.471 0.000 8.118) 8.828 7.628 ( 1.476 0.000 0.561) 1.579 7.791 ( -11.502 0.000 7.817) 13.907 8.357 ( 4.145 0.000 5.057) 6.539 8.544 ( -6.688 0.000 1.540) 6.863 9.595 ( -7.627 0.000 2.948) 8.176 11.417 ( -4.902 0.000 15.785) 16.529 11.855 ( 3.964 0.000 8.465) 9.347 12.159 ( -14.443 -0.000 -17.314) 22.547 12.383 ( -8.228 -0.000 -21.788) 23.290 13.072 ( 2.382 0.000 11.592) 11.835 13.703 ( 9.116 -0.000 -0.837) 9.154 13.739 ( 11.896 -0.000 -4.277) 12.641 19.926 ( -5.236 0.000 3.454) 6.273 20.127 ( -7.328 -0.000 -7.767) 10.678 20.339 ( 12.737 0.000 9.430) 15.848 21.656 ( 9.301 -0.000 -1.327) 9.395 21.775 ( -9.374 0.000 3.482) 10.000 21.921 ( -2.389 -0.000 -7.904) 8.257 22.138 ( 0.423 -0.000 -3.117) 3.145 22.245 ( 3.495 -0.000 -1.464) 3.790 ======================= Grid point 229 (96/171) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 10.473 0.000 -0.000) 10.473 0.942 ( 7.506 0.000 -0.000) 7.506 1.501 ( -5.778 -0.000 0.000) 5.778 1.601 ( 10.492 0.000 -0.000) 10.492 1.651 ( 7.909 0.000 -0.000) 7.909 1.728 ( 0.878 0.000 -0.000) 0.878 1.757 ( 4.370 0.000 -0.000) 4.370 1.959 ( 3.285 0.000 -0.000) 3.285 1.969 ( 5.962 0.000 -0.000) 5.962 2.450 ( -3.043 -0.000 0.000) 3.043 2.480 ( 23.104 0.000 -0.000) 23.104 2.903 ( 10.621 0.000 -0.000) 10.621 3.312 ( 1.034 0.000 -0.000) 1.034 3.830 ( -1.048 -0.000 0.000) 1.048 4.038 ( -10.109 -0.000 0.000) 10.109 4.337 ( 3.751 0.000 -0.000) 3.751 4.513 ( -3.051 -0.000 0.000) 3.051 4.597 ( -9.545 -0.000 0.000) 9.545 4.973 ( 9.439 0.000 -0.000) 9.439 5.696 ( 0.742 0.000 -0.000) 0.742 6.240 ( 2.293 0.000 -0.000) 2.293 7.404 ( -5.026 -0.000 0.000) 5.026 7.631 ( 1.628 0.000 -0.000) 1.628 7.864 ( -12.900 -0.000 0.000) 12.900 8.392 ( 0.753 0.000 -0.000) 0.753 8.554 ( -6.819 -0.000 0.000) 6.819 9.648 ( -8.210 -0.000 0.000) 8.210 11.603 ( -9.327 -0.000 0.000) 9.327 11.958 ( -12.046 -0.000 0.000) 12.046 11.977 ( -16.914 -0.000 0.000) 16.914 12.125 ( 11.997 0.000 -0.000) 11.997 13.182 ( -0.852 -0.000 0.000) 0.852 13.692 ( 15.255 0.000 -0.000) 15.255 13.694 ( 10.846 0.000 -0.000) 10.846 19.984 ( -5.119 -0.000 0.000) 5.119 20.033 ( -6.588 -0.000 0.000) 6.588 20.438 ( 14.309 0.000 -0.000) 14.309 21.645 ( 9.372 0.000 -0.000) 9.372 21.805 ( -9.231 -0.000 0.000) 9.231 21.826 ( -1.348 -0.000 0.000) 1.348 22.116 ( 0.246 0.000 -0.000) 0.246 22.232 ( 4.000 0.000 -0.000) 4.000 ======================= Grid point 233 (97/171) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 6.846 10.197) 12.282 0.873 ( 0.000 15.934 7.254) 17.508 1.556 ( -0.000 -2.958 -3.361) 4.477 1.616 ( -0.000 -2.337 -1.142) 2.601 1.633 ( 0.000 -3.082 13.311) 13.663 1.813 ( 0.000 0.212 2.193) 2.203 1.917 ( 0.000 3.583 9.413) 10.071 2.009 ( 0.000 3.020 17.041) 17.307 2.128 ( 0.000 -0.878 20.392) 20.411 2.165 ( 0.000 -0.348 30.310) 30.312 2.366 ( 0.000 2.933 2.400) 3.789 2.685 ( 0.000 -2.629 11.286) 11.588 3.802 ( -0.000 11.819 -10.629) 15.895 3.805 ( -0.000 1.211 -3.371) 3.582 4.152 ( -0.000 4.002 -4.900) 6.327 4.222 ( -0.000 -1.988 -9.753) 9.954 4.320 ( -0.000 -0.431 -8.981) 8.991 4.616 ( 0.000 8.370 13.334) 15.744 4.629 ( -0.000 -1.275 -8.954) 9.044 5.515 ( 0.000 -4.795 6.036) 7.708 6.605 ( 0.000 5.284 7.743) 9.374 7.255 ( -0.000 -3.677 -3.382) 4.996 7.384 ( -0.000 0.802 -11.705) 11.733 7.476 ( 0.000 2.168 5.123) 5.563 8.087 ( -0.000 2.590 -10.402) 10.719 8.693 ( -0.000 -1.996 -3.528) 4.054 10.440 ( 0.000 7.558 7.744) 10.822 10.880 ( -0.000 2.236 -29.759) 29.843 11.193 ( -0.000 4.663 -36.492) 36.789 12.328 ( -0.000 -10.181 -16.989) 19.806 12.888 ( 0.000 -3.526 8.212) 8.937 13.135 ( 0.000 -7.507 7.566) 10.658 13.866 ( 0.000 8.324 11.026) 13.815 13.991 ( 0.000 10.997 3.860) 11.655 20.272 ( 0.000 -0.397 5.389) 5.403 20.392 ( 0.000 -2.017 3.818) 4.318 20.713 ( 0.000 -2.067 5.505) 5.881 20.811 ( 0.000 -11.152 18.424) 21.537 21.691 ( 0.000 -5.873 3.655) 6.917 21.919 ( -0.000 -3.623 -0.113) 3.625 22.193 ( 0.000 3.155 0.821) 3.260 22.233 ( 0.000 0.677 3.058) 3.132 ======================= Grid point 234 (98/171) ======================= q-point: ( 0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( -0.860 6.335 8.483) 10.622 1.097 ( -2.461 13.298 8.073) 15.751 1.455 ( 4.817 -3.312 -3.092) 6.613 1.548 ( 2.447 -2.566 -1.292) 3.774 1.698 ( -1.021 -4.678 6.295) 7.910 1.809 ( 3.066 1.537 2.792) 4.423 1.949 ( 3.916 1.167 3.486) 5.371 2.154 ( 2.756 0.890 15.590) 15.857 2.177 ( 6.375 1.395 15.651) 16.957 2.382 ( -0.160 0.467 1.765) 1.832 2.687 ( -13.328 2.511 35.453) 37.958 2.877 ( -6.943 0.362 22.145) 23.210 3.726 ( 4.668 6.934 -5.857) 10.206 3.872 ( -2.786 2.046 -6.300) 7.186 4.100 ( 2.377 2.587 -8.005) 8.742 4.126 ( -0.469 -1.805 -9.756) 9.933 4.264 ( -0.961 1.274 -6.994) 7.174 4.551 ( -1.496 -0.168 -8.468) 8.601 4.847 ( -3.242 8.246 14.154) 16.699 5.517 ( 1.337 -3.366 5.269) 6.394 6.677 ( 2.602 1.915 4.896) 5.866 7.153 ( 1.134 -2.755 -8.879) 9.365 7.335 ( -4.209 0.957 -10.423) 11.281 7.542 ( -3.791 -1.636 -0.489) 4.158 8.048 ( 1.450 6.233 -3.121) 7.120 8.632 ( 1.498 -2.007 -3.343) 4.177 10.289 ( 18.577 2.895 -11.245) 21.907 10.917 ( -17.587 4.032 -10.870) 21.065 10.979 ( -4.944 5.630 -30.182) 31.098 12.103 ( -3.640 -11.332 -18.240) 21.780 12.883 ( 4.328 -3.583 6.133) 8.318 13.123 ( 0.163 -6.540 5.885) 8.800 14.001 ( 3.681 7.283 8.842) 12.032 14.100 ( 2.576 8.589 6.404) 11.019 20.201 ( 10.259 -1.171 5.785) 11.836 20.382 ( 7.324 1.085 2.385) 7.778 20.753 ( 0.101 -2.044 9.065) 9.293 20.922 ( -8.217 -9.927 13.929) 18.975 21.719 ( -5.834 -3.013 -0.137) 6.568 21.886 ( -0.650 -2.121 -2.324) 3.213 22.230 ( 0.003 1.958 2.038) 2.826 22.262 ( 0.290 0.774 2.608) 2.736 ======================= Grid point 235 (99/171) ======================= q-point: ( 0.60 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -1.696 4.561 6.806) 8.367 1.282 ( 2.301 1.860 1.142) 3.172 1.340 ( 2.586 3.706 2.932) 5.387 1.482 ( 1.575 -1.540 0.239) 2.216 1.697 ( 2.813 -3.295 6.822) 8.081 1.800 ( 2.661 1.096 2.122) 3.575 1.946 ( 0.112 1.043 0.886) 1.373 2.129 ( 9.984 -1.968 14.850) 18.002 2.271 ( 2.921 1.011 2.323) 3.867 2.423 ( 1.771 2.672 14.475) 14.826 3.156 ( -8.739 2.167 24.555) 26.154 3.204 ( -7.411 2.497 21.570) 22.944 3.619 ( 6.271 1.291 -9.966) 11.845 3.840 ( 4.397 2.971 -4.501) 6.958 3.988 ( 2.666 1.507 -10.438) 10.878 4.080 ( -3.109 -1.245 -2.778) 4.352 4.245 ( -3.553 0.284 -7.418) 8.230 4.530 ( -2.680 2.029 -6.776) 7.564 5.090 ( -3.346 6.663 13.363) 15.302 5.501 ( 2.592 -1.501 3.447) 4.567 6.641 ( 3.829 -3.704 0.883) 5.400 7.070 ( -1.489 0.496 -6.120) 6.318 7.315 ( -2.917 0.535 -9.562) 10.011 7.557 ( -5.908 -2.279 -6.424) 9.020 8.112 ( 0.533 7.312 4.998) 8.873 8.558 ( 2.433 -1.377 -2.816) 3.968 9.919 ( 14.221 -1.049 -14.772) 20.531 10.906 ( -4.772 7.917 -15.793) 18.299 11.177 ( -21.093 2.808 -9.951) 23.491 11.915 ( -6.941 -11.743 -18.848) 23.266 12.800 ( 7.565 -3.325 3.823) 9.105 13.115 ( 0.498 -4.703 5.673) 7.386 14.049 ( 6.287 5.672 6.717) 10.808 14.174 ( 4.389 5.996 6.195) 9.674 20.087 ( 8.929 -0.426 3.716) 9.681 20.252 ( 11.323 0.753 1.424) 11.437 20.805 ( 4.801 -0.603 13.332) 14.183 21.097 ( -11.972 -7.896 9.625) 17.272 21.761 ( -4.933 -2.228 -5.890) 7.999 21.874 ( -1.883 0.260 -1.567) 2.463 22.254 ( 0.782 0.636 1.540) 1.840 22.287 ( -0.079 0.738 2.141) 2.266 ======================= Grid point 236 (100/171) ======================= q-point: ( 0.70 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 5.186 0.762 0.960) 5.328 1.171 ( -1.318 -0.270 1.760) 2.215 1.318 ( 3.611 -1.306 -2.875) 4.797 1.560 ( -1.964 3.307 7.190) 8.155 1.690 ( 4.494 -0.521 9.566) 10.582 1.784 ( 2.543 0.604 1.644) 3.087 1.970 ( -2.016 0.918 -1.178) 2.509 2.085 ( 11.377 -2.214 17.247) 20.780 2.199 ( 5.474 0.041 -2.220) 5.907 2.556 ( 2.670 3.218 13.231) 13.876 3.320 ( 5.232 -0.099 -1.954) 5.586 3.406 ( 5.753 -1.434 2.098) 6.289 3.514 ( -4.582 1.118 11.283) 12.229 3.683 ( 9.614 2.672 -8.445) 13.072 3.974 ( -4.386 1.878 -2.175) 5.243 4.108 ( -2.541 -0.973 -0.717) 2.814 4.256 ( -4.756 1.277 -4.769) 6.855 4.538 ( -2.661 2.649 -6.406) 7.425 5.274 ( 0.738 3.384 10.524) 11.079 5.483 ( 1.846 2.087 1.925) 3.386 6.533 ( 2.367 -7.686 -1.103) 8.117 7.116 ( -4.602 2.865 1.217) 5.555 7.282 ( -3.310 -1.149 -5.883) 6.847 7.588 ( -6.739 0.183 -6.846) 9.608 8.226 ( -0.223 6.095 6.457) 8.882 8.490 ( 2.605 -0.009 -2.382) 3.530 9.624 ( 7.068 -3.388 -9.609) 12.400 10.988 ( -7.412 8.863 -5.439) 12.770 11.426 ( -20.553 0.666 -10.126) 22.922 11.777 ( -9.883 -11.181 -17.618) 23.088 12.666 ( 9.198 -2.674 1.654) 9.720 13.116 ( 1.239 -2.689 5.651) 6.379 14.037 ( 7.533 3.676 4.882) 9.701 14.175 ( 7.367 3.645 3.988) 9.136 19.986 ( 7.536 0.094 2.625) 7.981 20.114 ( 7.259 0.317 -0.722) 7.302 20.815 ( 9.886 -0.043 15.329) 18.240 21.291 ( -12.204 -5.317 6.623) 14.869 21.735 ( -1.947 1.369 -9.416) 9.713 21.905 ( -2.956 -1.039 -0.935) 3.270 22.242 ( 1.955 0.014 -0.104) 1.958 22.309 ( 0.088 0.324 1.262) 1.306 ======================= Grid point 237 (101/171) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 4.173 1.194 -1.748) 4.679 1.116 ( 7.117 -3.374 -3.423) 8.588 1.321 ( -4.431 -0.698 2.598) 5.184 1.634 ( 0.711 -0.114 5.042) 5.093 1.722 ( 4.386 2.128 9.910) 11.044 1.765 ( 2.489 -0.046 2.510) 3.535 1.997 ( -0.487 1.270 -1.075) 1.733 2.040 ( 9.184 -1.640 13.073) 16.061 2.083 ( 8.348 0.479 0.159) 8.363 2.582 ( 5.453 1.347 0.680) 5.658 3.138 ( 8.815 -2.507 -0.773) 9.197 3.230 ( 13.217 -0.589 -7.212) 15.068 3.497 ( 5.874 -0.690 -7.233) 9.343 3.707 ( -4.904 0.967 8.322) 9.708 3.982 ( -0.565 0.935 -9.926) 9.986 4.179 ( -3.752 0.429 8.373) 9.185 4.337 ( -5.537 2.325 -0.070) 6.006 4.540 ( -2.943 1.959 -8.676) 9.369 5.264 ( 9.820 -0.101 5.262) 11.141 5.556 ( -2.167 5.706 3.338) 6.957 6.419 ( 1.205 -8.161 -1.923) 8.471 7.217 ( -2.741 1.784 2.048) 3.859 7.373 ( -11.112 -0.645 4.722) 12.091 7.634 ( -5.075 1.168 -5.432) 7.525 8.333 ( -0.947 4.856 4.176) 6.475 8.441 ( 1.669 1.191 -2.260) 3.052 9.493 ( -0.638 -3.573 -1.819) 4.060 11.188 ( -8.676 6.948 5.018) 12.196 11.616 ( -17.834 -1.917 -15.612) 23.779 11.730 ( -13.929 -8.193 -10.555) 19.302 12.504 ( 9.886 -1.756 -0.598) 10.059 13.126 ( 1.376 -0.808 5.331) 5.565 13.972 ( 8.732 1.760 2.763) 9.326 14.087 ( 10.461 1.681 1.457) 10.694 19.916 ( 4.547 0.154 3.049) 5.477 20.029 ( 1.984 0.251 -3.469) 4.004 20.761 ( 13.444 -0.164 13.398) 18.981 21.479 ( -11.335 -2.953 4.205) 12.445 21.706 ( -0.128 5.830 -8.219) 10.078 21.910 ( -1.992 -3.749 -1.835) 4.625 22.196 ( 2.725 -0.470 -1.311) 3.060 22.309 ( 1.061 0.200 0.162) 1.092 ======================= Grid point 238 (102/171) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 9.609 -3.534 -3.088) 10.694 1.025 ( 4.251 1.602 -1.194) 4.697 1.409 ( -5.486 -1.141 2.029) 5.959 1.651 ( 3.106 0.222 5.705) 6.500 1.730 ( 4.795 1.469 4.389) 6.664 1.748 ( 2.577 -0.993 2.453) 3.694 1.902 ( 7.502 0.647 -6.721) 10.093 2.010 ( 5.282 0.874 4.147) 6.772 2.020 ( 6.828 -0.348 8.934) 11.250 2.470 ( 2.913 -0.497 -6.104) 6.781 2.885 ( 19.843 -0.523 -11.285) 22.834 3.026 ( 9.594 -0.342 6.685) 11.698 3.367 ( 1.557 -2.105 -6.157) 6.691 3.820 ( -0.896 0.200 3.709) 3.821 3.930 ( -5.246 -0.107 -6.553) 8.394 4.318 ( -1.484 0.605 9.968) 10.096 4.441 ( -4.728 1.325 1.194) 5.053 4.520 ( -4.827 1.267 -10.807) 11.904 5.125 ( 11.653 -0.041 2.604) 11.941 5.660 ( -1.042 4.269 2.681) 5.148 6.311 ( 1.692 -5.451 -2.578) 6.263 7.307 ( -4.737 0.355 3.421) 5.853 7.597 ( -8.240 0.334 5.050) 9.670 7.678 ( -6.628 0.591 -2.037) 6.960 8.392 ( 2.159 4.240 0.117) 4.760 8.455 ( -4.968 0.459 0.002) 4.989 9.529 ( -5.957 -1.816 2.603) 6.749 11.432 ( -8.556 -0.833 11.130) 14.063 11.714 ( -15.688 3.469 -13.233) 20.815 11.842 ( -15.793 -6.634 -5.962) 18.138 12.323 ( 10.355 -0.834 -2.969) 10.805 13.152 ( 0.426 0.478 4.150) 4.199 13.853 ( 10.006 0.274 0.727) 10.036 13.917 ( 13.327 0.342 -0.571) 13.344 19.914 ( -0.430 0.073 3.806) 3.831 19.996 ( -2.323 0.137 -4.960) 5.479 20.632 ( 14.910 -0.278 7.467) 16.677 21.652 ( -10.080 -0.880 2.063) 10.326 21.704 ( 3.506 9.010 -3.515) 10.287 21.863 ( -1.345 -6.746 -3.000) 7.504 22.141 ( 2.068 -0.488 -1.111) 2.397 22.282 ( 2.465 0.135 -0.364) 2.495 ======================= Grid point 244 (103/171) ======================= q-point: ( 0.50 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 0.000 6.031 8.761) 10.636 1.004 ( 0.000 14.391 8.071) 16.500 1.494 ( -0.000 -3.163 -3.177) 4.483 1.565 ( -0.000 -2.841 -3.887) 4.815 1.784 ( 0.000 -4.205 4.856) 6.424 1.811 ( -0.000 3.185 -1.154) 3.387 1.965 ( 0.000 1.554 -0.232) 1.571 2.287 ( 0.000 -2.944 3.305) 4.426 2.398 ( 0.000 1.320 21.765) 21.805 2.424 ( 0.000 4.095 10.925) 11.667 2.875 ( 0.000 2.196 39.251) 39.312 3.047 ( 0.000 -0.947 27.215) 27.232 3.685 ( -0.000 8.278 -3.214) 8.880 3.702 ( -0.000 4.304 -9.101) 10.067 4.031 ( -0.000 0.301 -12.591) 12.594 4.057 ( -0.000 -0.957 -5.596) 5.677 4.181 ( -0.000 3.313 -6.173) 7.006 4.458 ( -0.000 -0.622 -10.218) 10.237 4.861 ( 0.000 8.495 14.689) 16.969 5.567 ( -0.000 -0.476 -0.493) 0.686 6.749 ( 0.000 -0.744 8.092) 8.126 7.133 ( -0.000 -4.606 -10.463) 11.432 7.161 ( -0.000 2.858 -12.478) 12.801 7.530 ( -0.000 -3.412 -2.338) 4.136 7.981 ( 0.000 7.665 1.612) 7.833 8.611 ( -0.000 0.495 -5.956) 5.977 10.396 ( -0.000 1.698 -25.117) 25.175 10.495 ( -0.000 -0.231 -13.697) 13.699 10.761 ( 0.000 5.729 -1.224) 5.858 12.007 ( -0.000 -8.770 -19.888) 21.736 13.028 ( 0.000 -6.964 7.713) 10.391 13.232 ( 0.000 -8.581 3.590) 9.302 14.030 ( 0.000 8.612 7.724) 11.568 14.061 ( 0.000 11.806 4.055) 12.483 20.368 ( 0.000 0.367 5.387) 5.400 20.447 ( 0.000 -0.409 2.750) 2.780 20.835 ( 0.000 -2.713 8.502) 8.925 21.065 ( 0.000 -8.870 11.621) 14.620 21.676 ( -0.000 -1.852 -4.334) 4.713 21.868 ( -0.000 -1.361 -5.425) 5.593 22.242 ( 0.000 0.877 4.364) 4.451 22.307 ( 0.000 -2.692 4.554) 5.290 ======================= Grid point 245 (104/171) ======================= q-point: ( 0.60 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.157 5.843 7.325) 9.371 1.225 ( -3.408 11.166 6.627) 13.424 1.409 ( 3.679 -2.691 -2.081) 5.011 1.502 ( 0.404 -2.831 -3.333) 4.392 1.784 ( -0.190 -1.810 1.946) 2.665 1.827 ( 0.210 0.194 0.845) 0.891 1.958 ( 2.914 2.505 0.724) 3.910 2.247 ( 0.792 -3.070 -2.253) 3.889 2.497 ( 8.906 2.204 17.539) 19.794 2.587 ( 2.765 3.190 20.296) 20.731 3.256 ( -4.555 2.243 28.093) 28.548 3.299 ( -3.330 0.830 23.156) 23.409 3.613 ( 4.819 4.179 -5.894) 8.685 3.778 ( -4.498 3.304 -4.559) 7.206 3.896 ( 4.147 2.886 -13.932) 14.820 4.014 ( -3.247 -1.328 -4.793) 5.940 4.164 ( 1.025 2.122 -3.850) 4.514 4.401 ( -3.116 1.109 -8.165) 8.810 5.083 ( -2.479 7.877 12.652) 15.108 5.544 ( 1.232 0.480 -2.220) 2.584 6.753 ( 2.885 -4.277 2.175) 5.599 7.009 ( -1.378 -2.019 -5.878) 6.366 7.140 ( -4.398 2.443 -10.538) 11.677 7.457 ( -2.380 -3.869 -8.696) 9.811 8.104 ( 0.368 7.861 8.625) 11.676 8.555 ( 1.627 1.006 -5.578) 5.897 10.027 ( 14.466 -1.526 -15.814) 21.487 10.513 ( -13.088 5.449 -21.964) 26.143 10.925 ( -9.317 1.505 8.122) 12.451 11.773 ( -3.432 -9.894 -19.658) 22.274 12.982 ( 5.307 -5.944 5.114) 9.468 13.195 ( -1.525 -7.020 2.587) 7.635 14.120 ( 4.655 8.042 4.945) 10.526 14.193 ( 0.879 8.379 4.304) 9.460 20.291 ( 11.517 -0.397 4.407) 12.338 20.426 ( 8.596 1.437 2.435) 9.050 20.920 ( -4.183 -3.539 10.032) 11.431 21.119 ( -5.732 -7.965 9.117) 13.395 21.661 ( -2.649 -0.492 -5.867) 6.456 21.820 ( -1.308 0.301 -4.645) 4.835 22.282 ( 0.081 -0.095 3.429) 3.431 22.315 ( 0.529 -1.359 2.964) 3.303 ======================= Grid point 246 (105/171) ======================= q-point: ( 0.70 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -1.215 3.052 4.673) 5.712 1.276 ( 6.037 -1.449 0.264) 6.214 1.363 ( 3.493 0.688 -1.088) 3.722 1.510 ( -4.723 3.923 2.260) 6.542 1.793 ( -0.593 -0.518 1.468) 1.666 1.820 ( 0.832 -2.016 1.602) 2.706 1.960 ( 3.063 4.030 3.657) 6.245 2.177 ( 1.891 -1.405 -4.368) 4.963 2.493 ( 12.243 -0.206 16.976) 20.931 2.719 ( 5.515 2.955 16.109) 17.281 3.389 ( 5.533 0.629 -0.798) 5.626 3.530 ( -1.365 2.387 14.292) 14.554 3.554 ( 3.415 -1.298 5.457) 6.567 3.712 ( 7.949 3.577 -11.321) 14.288 3.846 ( -5.182 2.946 -2.559) 6.487 4.067 ( -5.840 1.671 -0.999) 6.156 4.134 ( -1.196 -0.111 -3.623) 3.817 4.415 ( -3.060 2.916 -5.677) 7.078 5.280 ( -2.572 6.638 8.015) 10.721 5.510 ( 2.147 1.280 -1.532) 2.932 6.648 ( 2.357 -8.559 -0.491) 8.891 7.054 ( -5.266 0.285 4.783) 7.120 7.148 ( -4.905 1.875 -8.360) 9.873 7.409 ( -6.016 -1.593 -10.489) 12.196 8.239 ( 1.075 6.562 8.681) 10.935 8.488 ( 2.739 2.045 -5.253) 6.267 9.707 ( 9.528 -3.878 -8.880) 13.590 10.641 ( -14.441 9.300 -12.525) 21.259 11.156 ( -12.932 -1.964 5.493) 14.187 11.597 ( -7.094 -10.108 -17.649) 21.540 12.857 ( 8.207 -5.094 2.466) 9.969 13.185 ( -1.197 -4.851 2.566) 5.617 14.136 ( 6.547 6.172 3.357) 9.604 14.251 ( 4.358 5.851 2.868) 7.839 20.147 ( 10.727 0.160 2.829) 11.095 20.275 ( 12.785 0.572 1.071) 12.843 21.034 ( -0.216 -2.159 12.264) 12.454 21.236 ( -8.259 -5.556 7.138) 12.248 21.606 ( -1.594 -0.651 -11.410) 11.539 21.847 ( -3.411 1.278 -1.430) 3.913 22.283 ( 1.694 -1.086 1.498) 2.508 22.323 ( 0.241 -0.267 1.705) 1.742 ======================= Grid point 247 (106/171) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.249 -1.590 -0.517) 5.509 1.227 ( 4.546 -1.997 1.382) 5.154 1.288 ( -0.485 0.695 -0.387) 0.932 1.635 ( -2.269 3.942 2.181) 5.044 1.799 ( 0.385 -3.292 1.630) 3.694 1.820 ( -1.031 0.670 1.392) 1.857 1.994 ( 3.419 4.228 5.334) 7.617 2.088 ( 4.085 0.952 -4.899) 6.450 2.414 ( 12.959 -1.797 11.529) 17.438 2.705 ( 9.811 0.356 3.029) 10.274 3.285 ( 7.112 -0.424 3.824) 8.086 3.389 ( 12.040 0.178 -4.455) 12.839 3.533 ( 6.641 -1.738 -7.800) 10.391 3.700 ( -3.105 1.726 6.660) 7.548 3.902 ( 0.113 3.000 -3.458) 4.579 4.164 ( -4.536 0.317 4.054) 6.092 4.197 ( -7.761 3.555 -1.886) 8.742 4.430 ( -1.170 2.458 -4.648) 5.387 5.414 ( 2.360 3.313 5.550) 6.881 5.476 ( 0.740 4.667 -2.031) 5.144 6.528 ( 1.441 -10.808 0.059) 10.904 7.164 ( -3.375 1.045 0.269) 3.543 7.256 ( -10.193 0.623 6.574) 12.145 7.434 ( -9.472 0.894 -10.492) 14.163 8.335 ( 1.444 4.736 5.700) 7.550 8.426 ( 3.018 3.485 -4.547) 6.475 9.527 ( 2.633 -4.501 -2.221) 5.668 10.906 ( -16.264 11.226 -3.193) 20.019 11.354 ( -12.334 -5.504 1.062) 13.548 11.519 ( -12.196 -8.885 -10.910) 18.620 12.690 ( 9.845 -3.926 0.800) 10.629 13.180 ( -0.258 -2.766 1.829) 3.326 14.094 ( 8.034 4.004 1.685) 9.133 14.218 ( 8.073 3.634 1.194) 8.933 20.028 ( 7.565 0.554 1.695) 7.773 20.102 ( 9.894 0.055 -0.557) 9.910 21.054 ( 9.722 -0.781 10.189) 14.105 21.378 ( -9.846 -4.043 3.879) 11.329 21.553 ( -4.134 2.097 -9.858) 10.893 21.890 ( -2.414 -0.534 -0.563) 2.536 22.244 ( 2.820 -1.176 0.151) 3.059 22.324 ( 0.726 -0.022 0.491) 0.877 ======================= Grid point 248 (107/171) ======================= q-point: (-0.10 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 4.389 1.059 -0.000) 4.515 1.083 ( 8.339 -4.472 0.000) 9.463 1.348 ( -4.687 -0.518 -0.000) 4.716 1.685 ( 0.439 2.182 -0.000) 2.226 1.773 ( 0.168 -2.960 0.000) 2.965 1.837 ( 1.811 -0.052 0.000) 1.812 1.962 ( 7.491 3.409 -0.000) 8.230 2.034 ( 3.145 2.897 -0.000) 4.276 2.263 ( 11.676 -1.650 0.000) 11.792 2.541 ( 8.871 -1.806 0.000) 9.053 3.133 ( 17.152 0.233 0.000) 17.154 3.212 ( 9.949 0.715 0.000) 9.974 3.383 ( 2.359 -3.739 0.000) 4.422 3.798 ( -5.101 0.556 -0.000) 5.131 3.870 ( 2.527 0.841 -0.000) 2.664 4.298 ( -7.605 1.943 -0.000) 7.849 4.334 ( -6.330 2.670 -0.000) 6.870 4.420 ( 0.925 1.354 -0.000) 1.640 5.313 ( 10.929 0.042 0.000) 10.929 5.582 ( -3.078 7.228 -0.000) 7.856 6.404 ( 1.782 -9.816 0.000) 9.976 7.238 ( -5.154 0.298 -0.000) 5.163 7.473 ( -11.139 0.741 -0.000) 11.164 7.533 ( -8.401 1.342 -0.000) 8.507 8.391 ( 3.486 5.420 -0.000) 6.444 8.392 ( -1.530 1.647 -0.000) 2.248 9.491 ( -3.060 -3.369 0.000) 4.551 11.270 ( -17.552 11.689 -0.000) 21.088 11.427 ( -9.176 -7.993 0.000) 12.169 11.638 ( -16.829 -7.783 0.000) 18.541 12.502 ( 11.094 -2.486 0.000) 11.369 13.172 ( 0.153 -0.831 0.000) 0.845 13.996 ( 9.315 1.870 -0.000) 9.501 14.098 ( 11.415 1.771 -0.000) 11.552 19.965 ( 2.646 0.523 -0.000) 2.697 19.978 ( 5.256 -0.034 0.000) 5.256 20.899 ( 14.542 -0.539 0.000) 14.552 21.520 ( -10.713 -2.867 0.000) 11.090 21.608 ( -2.252 6.663 -0.000) 7.034 21.894 ( -0.900 -3.597 0.000) 3.708 22.186 ( 3.165 -1.053 0.000) 3.336 22.310 ( 1.495 0.152 0.000) 1.502 ======================= Grid point 255 (108/171) ======================= q-point: ( 0.60 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 6.190 7.381) 9.633 1.133 ( -0.000 11.340 5.868) 12.768 1.449 ( -0.000 -3.502 -1.904) 3.987 1.496 ( 0.000 -2.731 -3.799) 4.679 1.785 ( 0.000 4.289 -1.676) 4.605 1.790 ( -0.000 2.018 -2.448) 3.173 2.017 ( 0.000 -2.834 6.227) 6.842 2.251 ( 0.000 -3.626 -5.126) 6.279 2.654 ( -0.000 5.492 14.507) 15.512 2.769 ( -0.000 1.418 17.599) 17.656 3.441 ( -0.000 0.714 8.913) 8.942 3.450 ( -0.000 1.638 24.524) 24.578 3.550 ( -0.000 5.834 0.898) 5.903 3.679 ( 0.000 4.063 1.812) 4.449 3.793 ( 0.000 2.042 -13.787) 13.937 3.951 ( -0.000 -0.929 -7.248) 7.307 4.141 ( 0.000 2.532 1.768) 3.088 4.302 ( -0.000 -0.323 -7.307) 7.314 5.106 ( -0.000 6.806 13.458) 15.081 5.493 ( -0.000 2.085 -7.860) 8.132 6.805 ( -0.000 -1.524 -3.140) 3.491 6.923 ( 0.000 -2.955 -12.296) 12.646 7.068 ( 0.000 0.482 4.479) 4.505 7.400 ( -0.000 -4.607 -10.275) 11.261 8.128 ( -0.000 6.999 12.254) 14.112 8.492 ( 0.000 2.842 -7.887) 8.384 10.058 ( 0.000 1.598 -13.065) 13.162 10.156 ( -0.000 1.295 -17.374) 17.422 10.970 ( 0.000 -1.331 17.380) 17.431 11.654 ( 0.000 -7.460 -20.856) 22.150 13.146 ( 0.000 -8.484 5.884) 10.325 13.260 ( 0.000 -8.886 -0.281) 8.890 14.122 ( -0.000 10.968 2.843) 11.331 14.126 ( -0.000 9.015 3.400) 9.634 20.447 ( -0.000 0.852 3.616) 3.715 20.484 ( 0.000 0.410 1.332) 1.394 20.998 ( 0.000 -3.949 10.124) 10.866 21.206 ( 0.000 -8.673 3.611) 9.395 21.596 ( 0.000 2.622 -2.878) 3.894 21.752 ( -0.000 0.503 -7.572) 7.588 22.319 ( 0.000 -0.877 4.031) 4.126 22.365 ( -0.000 -3.072 1.878) 3.601 ======================= Grid point 256 (109/171) ======================= q-point: ( 0.70 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 1.670 5.461 3.945) 6.940 1.313 ( -3.602 8.767 3.091) 9.970 1.384 ( 2.954 -1.905 -0.741) 3.592 1.446 ( -1.069 -3.082 -2.644) 4.199 1.775 ( 1.131 2.706 -1.006) 3.101 1.830 ( -1.709 0.964 -0.486) 2.022 2.033 ( 2.556 -0.545 6.590) 7.089 2.167 ( 0.764 -2.041 -6.052) 6.432 2.759 ( 7.146 2.015 11.114) 13.366 2.884 ( 2.535 3.179 9.912) 10.714 3.453 ( 4.308 3.001 1.479) 5.454 3.594 ( -0.348 2.523 2.486) 3.559 3.623 ( 3.348 1.682 -2.726) 4.634 3.716 ( 3.160 0.859 6.469) 7.251 3.748 ( -2.927 4.172 0.504) 5.121 3.923 ( -4.479 1.552 -5.655) 7.379 4.148 ( 2.320 -0.077 1.023) 2.537 4.297 ( -3.929 2.232 -3.244) 5.563 5.265 ( 0.265 5.695 7.794) 9.657 5.462 ( -1.929 2.866 -5.737) 6.697 6.729 ( 1.562 -5.012 -2.428) 5.784 6.912 ( -9.355 0.430 -5.359) 10.789 7.115 ( 0.060 -0.861 7.416) 7.466 7.283 ( -1.600 -3.229 -10.705) 11.295 8.281 ( 1.103 5.944 10.496) 12.112 8.440 ( 1.710 3.667 -7.846) 8.828 9.826 ( 11.046 -1.973 -6.327) 12.882 10.245 ( -14.646 5.992 -8.367) 17.900 11.138 ( -5.794 -3.983 15.598) 17.109 11.439 ( -4.046 -7.741 -18.881) 20.804 13.048 ( 6.656 -7.191 2.160) 10.034 13.219 ( -3.205 -6.888 0.448) 7.611 14.175 ( 4.703 8.358 1.564) 9.716 14.243 ( 0.635 7.937 1.499) 8.103 20.345 ( 11.955 0.150 1.652) 12.070 20.458 ( 9.209 1.606 1.024) 9.404 21.071 ( -6.403 -6.918 6.055) 11.203 21.230 ( -8.755 -5.461 3.421) 10.871 21.556 ( 5.566 1.089 -4.647) 7.332 21.752 ( -4.411 2.542 -2.538) 5.689 22.330 ( 0.824 -1.534 1.820) 2.519 22.349 ( 0.381 -1.574 0.821) 1.816 ======================= Grid point 257 (110/171) ======================= q-point: ( 0.80 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -0.152 1.016 -0.000) 1.027 1.295 ( 5.610 0.361 0.000) 5.621 1.338 ( 4.285 -1.448 0.000) 4.523 1.531 ( -6.379 5.190 -0.000) 8.224 1.788 ( -0.663 1.885 -0.000) 1.998 1.836 ( -0.655 -3.159 0.000) 3.226 2.045 ( 2.521 3.376 -0.000) 4.213 2.098 ( 2.816 0.226 0.000) 2.825 2.665 ( 11.250 -1.141 0.000) 11.308 2.873 ( 8.541 1.559 -0.000) 8.682 3.424 ( 5.880 1.367 -0.000) 6.036 3.463 ( 7.635 2.083 -0.000) 7.914 3.640 ( 6.470 -3.297 0.000) 7.262 3.680 ( -1.281 2.406 -0.000) 2.725 3.850 ( -0.882 5.979 -0.000) 6.044 4.025 ( -8.139 3.631 -0.000) 8.913 4.133 ( -1.186 -0.809 0.000) 1.435 4.362 ( -2.438 3.021 -0.000) 3.882 5.350 ( -1.400 6.400 -0.000) 6.552 5.490 ( 0.454 2.074 -0.000) 2.123 6.640 ( 0.499 -9.426 0.000) 9.439 7.061 ( -8.992 2.189 -0.000) 9.255 7.202 ( -6.071 -1.715 0.000) 6.309 7.225 ( -3.774 0.182 -0.000) 3.778 8.375 ( 2.079 3.261 -0.000) 3.867 8.386 ( 2.817 5.997 -0.000) 6.625 9.630 ( 7.192 -4.117 0.000) 8.288 10.527 ( -16.946 9.583 -0.000) 19.469 11.315 ( -7.189 -7.063 0.000) 10.078 11.334 ( -10.370 -6.618 0.000) 12.302 12.879 ( 8.471 -5.698 0.000) 10.209 13.206 ( -1.811 -4.803 0.000) 5.133 14.165 ( 6.551 6.336 -0.000) 9.113 14.276 ( 4.407 5.727 -0.000) 7.226 20.173 ( 11.126 0.452 0.000) 11.135 20.285 ( 13.435 0.472 0.000) 13.444 21.155 ( -6.878 -5.717 0.000) 8.944 21.377 ( -9.449 -1.352 -0.000) 9.545 21.412 ( 6.665 -0.673 0.000) 6.699 21.833 ( -3.856 1.857 -0.000) 4.280 22.297 ( 2.111 -1.623 0.000) 2.663 22.339 ( 0.455 -0.569 0.000) 0.728 ======================= Grid point 263 (111/171) ======================= q-point: ( 0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 8.654 0.000 9.333) 12.727 1.116 ( -3.802 0.000 3.541) 5.196 1.285 ( 4.121 0.000 4.966) 6.453 1.433 ( -5.682 -0.000 -4.700) 7.374 1.481 ( -1.983 0.000 2.671) 3.326 1.793 ( -1.621 0.000 2.329) 2.837 1.830 ( -11.344 0.000 16.010) 19.621 2.077 ( 0.557 -0.000 -1.227) 1.348 2.230 ( 2.008 0.000 9.409) 9.620 2.278 ( -1.371 -0.000 -8.859) 8.964 3.216 ( 9.257 0.000 17.651) 19.931 3.264 ( 1.701 0.000 5.804) 6.049 3.468 ( -5.519 -0.000 -4.893) 7.376 3.656 ( -0.106 -0.000 -0.763) 0.771 4.005 ( -0.404 -0.000 -3.755) 3.777 4.215 ( 4.940 -0.000 -9.957) 11.115 4.335 ( 2.102 0.000 2.745) 3.458 4.522 ( -0.044 -0.000 -14.960) 14.960 5.107 ( 4.538 0.000 7.966) 9.168 5.385 ( -4.523 -0.000 -6.677) 8.065 6.679 ( -2.988 0.000 13.466) 13.794 7.145 ( 4.499 0.000 1.049) 4.620 7.475 ( 5.644 -0.000 -7.033) 9.017 7.546 ( -5.033 -0.000 -5.540) 7.485 8.109 ( 9.410 -0.000 -3.509) 10.043 8.369 ( -5.723 -0.000 -8.160) 9.967 9.778 ( -1.751 0.000 10.423) 10.569 10.830 ( 7.742 -0.000 -17.877) 19.482 11.638 ( 16.390 -0.000 -1.363) 16.447 12.488 ( 8.975 -0.000 -18.168) 20.264 12.790 ( -14.647 0.000 15.213) 21.118 13.068 ( -12.579 0.000 13.640) 18.555 13.713 ( 1.536 -0.000 -0.165) 1.545 13.834 ( 3.764 0.000 0.265) 3.774 19.877 ( -5.680 0.000 0.702) 5.724 20.068 ( 2.986 -0.000 -4.898) 5.737 20.504 ( -10.988 0.000 14.183) 17.941 21.534 ( -10.446 -0.000 -10.637) 14.909 21.746 ( 8.460 0.000 3.720) 9.242 21.995 ( 0.848 -0.000 -1.784) 1.975 22.309 ( 0.409 0.000 1.706) 1.754 22.327 ( -1.777 0.000 3.456) 3.886 ======================= Grid point 267 (112/171) ======================= q-point: (-0.30 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( 0.000 7.988 -2.101) 8.260 1.167 ( 0.000 7.988 2.101) 8.260 1.444 ( -0.000 -3.048 -1.619) 3.451 1.444 ( 0.000 -3.048 1.619) 3.451 1.765 ( 0.000 4.343 -0.021) 4.343 1.765 ( 0.000 4.343 0.021) 4.343 2.139 ( -0.000 -3.648 -7.299) 8.160 2.139 ( 0.000 -3.648 7.299) 8.160 2.867 ( -0.000 4.034 -7.118) 8.182 2.867 ( 0.000 4.034 7.118) 8.182 3.497 ( -0.000 4.125 -10.186) 10.989 3.497 ( 0.000 4.125 10.186) 10.989 3.678 ( -0.000 1.615 -2.191) 2.722 3.678 ( 0.000 1.615 2.191) 2.722 3.810 ( -0.000 1.298 -9.236) 9.326 3.810 ( 0.000 1.298 9.236) 9.326 4.206 ( -0.000 0.383 -4.451) 4.468 4.206 ( 0.000 0.383 4.451) 4.468 5.320 ( -0.000 4.091 -11.359) 12.073 5.320 ( 0.000 4.091 11.359) 12.073 6.778 ( -0.000 -0.709 -2.875) 2.961 6.778 ( 0.000 -0.709 2.875) 2.961 7.218 ( -0.000 -3.437 -10.483) 11.032 7.218 ( 0.000 -3.437 10.483) 11.032 8.333 ( -0.000 4.812 -10.720) 11.751 8.333 ( 0.000 4.812 10.720) 11.751 9.971 ( 0.000 1.609 -2.092) 2.639 9.971 ( 0.000 1.609 2.092) 2.639 11.298 ( -0.000 -5.256 -20.247) 20.918 11.298 ( 0.000 -5.256 20.247) 20.918 13.227 ( -0.000 -8.903 -3.043) 9.408 13.227 ( 0.000 -8.903 3.043) 9.408 14.151 ( 0.000 9.833 -0.108) 9.833 14.151 ( 0.000 9.833 0.108) 9.833 20.488 ( 0.000 0.863 -0.590) 1.045 20.488 ( 0.000 0.863 0.590) 1.045 21.161 ( -0.000 -6.480 -7.533) 9.937 21.161 ( 0.000 -6.480 7.533) 9.937 21.628 ( -0.000 2.460 -5.566) 6.086 21.628 ( 0.000 2.460 5.566) 6.086 22.368 ( -0.000 -2.143 -1.481) 2.605 22.368 ( 0.000 -2.143 1.481) 2.605 ======================= Grid point 274 (113/171) ======================= q-point: ( 0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -4.928 0.725 -4.224) 6.531 1.217 ( -0.783 0.114 1.512) 1.706 1.333 ( 0.860 -1.059 0.380) 1.416 1.456 ( 1.899 -0.216 15.127) 15.247 1.495 ( 2.415 -1.471 -0.516) 2.874 1.779 ( -5.448 1.921 7.505) 9.470 1.796 ( -7.454 0.086 10.282) 12.700 2.048 ( -1.775 0.136 -3.072) 3.551 2.179 ( -1.046 1.060 -8.606) 8.734 2.309 ( -0.662 -1.263 4.979) 5.179 3.199 ( -8.172 0.884 -9.343) 12.444 3.221 ( -10.396 0.174 -12.703) 16.415 3.559 ( 11.785 0.090 16.349) 20.154 3.735 ( 5.747 0.341 6.611) 8.767 3.984 ( -0.247 -0.853 0.561) 1.050 4.223 ( 3.771 0.354 -5.772) 6.904 4.350 ( 2.098 2.366 -5.483) 6.330 4.423 ( 1.603 -3.005 -10.173) 10.728 5.164 ( -2.996 1.192 1.311) 3.481 5.259 ( -4.534 -1.914 -5.778) 7.590 6.760 ( -1.839 0.587 14.395) 14.524 7.250 ( 5.652 3.103 5.014) 8.168 7.431 ( -4.069 -3.294 -2.567) 5.831 7.552 ( 7.871 0.009 -3.947) 8.805 8.182 ( 2.018 3.037 -3.898) 5.337 8.257 ( 0.999 -4.509 -5.271) 7.008 9.923 ( 6.934 3.153 16.268) 17.963 10.845 ( 10.162 -3.072 -12.755) 16.595 11.885 ( 14.380 -1.356 2.237) 14.616 12.477 ( 9.590 0.614 -16.698) 19.266 12.679 ( -13.902 4.445 15.196) 21.070 12.988 ( -11.981 -0.207 10.832) 16.153 13.726 ( 0.991 -1.105 -2.465) 2.877 13.866 ( 1.924 -0.631 -3.967) 4.454 19.844 ( -0.147 -0.132 1.989) 1.999 20.082 ( 5.738 -0.075 -7.357) 9.330 20.454 ( -11.419 0.021 13.766) 17.886 21.263 ( -12.725 -2.054 -13.205) 18.453 21.870 ( 5.180 1.832 2.973) 6.247 21.987 ( -1.294 -1.121 -0.821) 1.898 22.309 ( -1.021 0.510 0.324) 1.186 22.322 ( -0.708 1.266 1.385) 2.006 ======================= Grid point 275 (114/171) ======================= q-point: ( 0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -11.522 0.000 3.574) 12.063 1.214 ( 5.905 -0.000 7.329) 9.412 1.352 ( -5.731 -0.000 -4.050) 7.018 1.376 ( 8.335 0.000 1.750) 8.517 1.603 ( -1.028 0.000 10.952) 11.000 1.855 ( -3.600 -0.000 5.240) 6.358 1.907 ( 2.487 0.000 -5.657) 6.180 2.119 ( -5.936 0.000 -7.133) 9.280 2.260 ( -10.141 -0.000 16.924) 19.729 2.397 ( -4.389 -0.000 9.566) 10.524 3.250 ( -7.017 -0.000 -6.305) 9.433 3.290 ( -11.661 0.000 -11.130) 16.120 3.533 ( 10.026 -0.000 16.717) 19.493 3.718 ( 4.040 0.000 6.609) 7.746 3.962 ( 2.385 -0.000 -2.980) 3.817 4.030 ( 9.167 0.000 -11.654) 14.827 4.294 ( -1.269 0.000 -9.307) 9.393 4.318 ( 2.161 -0.000 -3.892) 4.452 5.201 ( 0.719 -0.000 3.456) 3.530 5.299 ( -5.527 0.000 -3.579) 6.584 6.930 ( -2.864 -0.000 15.441) 15.704 7.209 ( 8.284 -0.000 5.642) 10.023 7.372 ( 8.752 0.000 -6.268) 10.765 7.422 ( -1.882 0.000 -8.166) 8.380 8.093 ( 5.695 -0.000 0.970) 5.777 8.229 ( -4.258 0.000 -7.438) 8.571 9.975 ( 5.366 0.000 12.675) 13.764 10.519 ( 11.550 -0.000 -18.040) 21.420 11.686 ( 15.362 -0.000 7.141) 16.941 12.164 ( 10.788 0.000 -18.452) 21.374 13.032 ( -12.418 0.000 12.099) 17.337 13.218 ( -10.064 -0.000 3.420) 10.630 13.722 ( -1.671 0.000 1.681) 2.370 13.817 ( 0.519 -0.000 -2.100) 2.163 19.904 ( -5.319 -0.000 2.220) 5.764 20.000 ( -1.255 0.000 -3.302) 3.532 20.769 ( -12.034 -0.000 16.360) 20.309 21.320 ( -11.309 0.000 -14.129) 18.098 21.815 ( 7.389 0.000 4.235) 8.517 21.950 ( 3.282 -0.000 -3.222) 4.599 22.334 ( -1.149 -0.000 1.215) 1.672 22.357 ( -2.063 0.000 0.382) 2.098 ======================= Grid point 285 (115/171) ======================= q-point: ( 0.30 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -2.621 0.970 -4.429) 5.237 1.100 ( -6.169 -0.185 -6.503) 8.966 1.448 ( 3.990 -1.106 5.265) 6.698 1.517 ( -1.470 -1.548 5.268) 5.684 1.618 ( 2.690 0.946 7.869) 8.370 1.718 ( -10.534 1.018 12.407) 16.307 1.772 ( -2.955 2.266 3.958) 5.435 1.981 ( -1.399 0.643 -5.411) 5.626 2.075 ( -2.035 1.856 -7.353) 7.852 2.316 ( -3.064 -2.461 -1.715) 4.288 2.877 ( -14.770 2.572 -15.177) 21.333 2.943 ( -11.764 -0.482 -12.190) 16.947 3.816 ( 8.149 3.954 8.819) 12.642 3.918 ( 9.268 3.076 9.780) 13.821 4.043 ( 3.382 -2.367 4.662) 6.227 4.195 ( -0.119 0.345 -2.205) 2.235 4.348 ( 4.804 -1.458 -6.288) 8.046 4.417 ( 4.247 -3.053 -8.912) 10.334 5.020 ( -9.091 3.673 -2.668) 10.162 5.206 ( -3.973 -6.141 -3.656) 8.177 6.833 ( -1.237 4.776 11.575) 12.582 7.284 ( 0.311 1.101 -0.236) 1.168 7.456 ( 1.171 -3.876 2.929) 4.997 7.638 ( 4.315 -1.799 -2.171) 5.155 8.125 ( 0.769 2.753 -0.766) 2.960 8.344 ( 5.961 -4.606 -2.603) 7.970 10.161 ( 12.753 10.257 15.082) 22.255 11.001 ( 12.675 -9.555 -3.505) 16.255 12.119 ( 9.563 -1.025 4.318) 10.543 12.459 ( 1.621 1.075 -7.135) 7.395 12.587 ( -1.979 6.153 7.431) 9.848 12.894 ( -10.851 -0.828 6.605) 12.731 13.718 ( 0.197 -0.372 -3.119) 3.147 13.836 ( 0.641 0.368 -7.271) 7.309 19.910 ( 5.137 -0.212 3.807) 6.397 20.120 ( 8.117 -0.066 -8.282) 11.596 20.391 ( -11.308 0.503 12.039) 16.525 20.966 ( -14.452 -5.133 -14.733) 21.267 21.922 ( 1.216 1.124 1.247) 2.073 21.951 ( -4.322 -0.826 -0.486) 4.427 22.284 ( -0.836 1.548 0.069) 1.761 22.310 ( 0.219 1.856 0.353) 1.902 ======================= Grid point 286 (116/171) ======================= q-point: ( 0.40 0.70 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -9.583 2.361 3.864) 10.599 1.155 ( -8.511 -1.219 -5.421) 10.164 1.407 ( 5.398 -1.311 5.047) 7.506 1.472 ( 4.423 -1.450 -2.176) 5.139 1.722 ( 0.716 -0.156 14.136) 14.154 1.839 ( -2.808 2.599 4.213) 5.691 1.901 ( 1.718 -0.658 -5.171) 5.489 1.964 ( -5.609 0.219 -6.925) 8.914 2.207 ( -11.342 2.338 11.869) 16.583 2.362 ( -7.222 -2.052 -0.091) 7.508 3.004 ( -13.275 1.540 -8.862) 16.036 3.028 ( -12.025 -0.930 -8.188) 14.577 3.804 ( 8.298 4.252 9.535) 13.336 3.880 ( 9.450 1.038 10.904) 14.467 3.980 ( 4.093 -2.447 -2.251) 5.273 4.111 ( 11.134 -1.926 -9.973) 15.071 4.211 ( -1.374 1.543 -1.784) 2.730 4.299 ( -0.193 -2.691 -6.620) 7.149 5.164 ( -7.359 1.526 -0.390) 7.526 5.206 ( -4.238 -3.005 -1.157) 5.322 7.010 ( -2.275 3.792 13.397) 14.108 7.264 ( -0.904 0.758 -7.858) 7.946 7.406 ( 5.536 -3.376 5.074) 8.233 7.502 ( 8.159 -0.909 -3.851) 9.068 8.127 ( 1.066 2.739 -1.723) 3.407 8.199 ( 3.839 -4.357 -1.804) 6.080 10.194 ( 11.838 10.490 13.116) 20.548 10.623 ( 14.071 -11.219 -11.463) 21.337 11.978 ( 13.831 0.201 8.888) 16.442 12.191 ( 12.261 0.667 -15.148) 19.500 12.903 ( -11.070 8.306 8.850) 16.427 13.088 ( -11.389 -2.976 1.081) 11.821 13.718 ( -1.530 -1.252 1.899) 2.741 13.787 ( -1.510 -1.367 -4.678) 5.102 19.895 ( 0.802 -0.145 3.867) 3.952 19.974 ( 2.745 -0.122 -5.349) 6.013 20.712 ( -13.422 0.908 15.365) 20.422 21.013 ( -13.489 -3.113 -15.128) 20.507 21.914 ( 3.544 2.215 1.836) 4.565 21.969 ( 0.346 -1.394 -1.022) 1.763 22.316 ( -1.464 0.823 0.477) 1.746 22.327 ( -0.977 0.968 -0.373) 1.425 ======================= Grid point 287 (117/171) ======================= q-point: (-0.50 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -8.139 -0.000 -3.569) 8.887 1.236 ( -8.139 0.000 3.569) 8.887 1.355 ( 5.116 -0.000 -2.734) 5.800 1.355 ( 5.116 0.000 2.734) 5.800 1.779 ( 3.859 -0.000 -8.741) 9.555 1.779 ( 3.859 0.000 8.741) 9.555 1.977 ( -5.390 -0.000 -8.337) 9.928 1.977 ( -5.390 0.000 8.337) 9.928 2.481 ( -10.833 -0.000 -3.340) 11.336 2.481 ( -10.833 0.000 3.340) 11.336 3.160 ( -10.831 -0.000 -0.354) 10.837 3.160 ( -10.831 0.000 0.354) 10.837 3.806 ( 9.913 -0.000 -14.003) 17.157 3.806 ( 9.913 0.000 14.003) 17.157 3.855 ( 4.548 -0.000 -8.527) 9.665 3.855 ( 4.548 0.000 8.527) 9.665 4.248 ( -0.388 -0.000 -2.297) 2.329 4.248 ( -0.388 0.000 2.297) 2.329 5.249 ( -3.179 -0.000 -2.491) 4.039 5.249 ( -3.179 0.000 2.491) 4.039 7.189 ( -2.012 -0.000 -13.474) 13.624 7.189 ( -2.012 0.000 13.474) 13.624 7.312 ( 10.398 -0.000 -5.754) 11.883 7.312 ( 10.398 0.000 5.754) 11.883 8.132 ( -0.092 -0.000 -3.372) 3.373 8.132 ( -0.092 0.000 3.372) 3.373 10.222 ( 10.910 -0.000 -13.826) 17.613 10.222 ( 10.910 0.000 13.826) 17.613 11.876 ( 12.736 -0.000 -14.420) 19.239 11.876 ( 12.736 0.000 14.420) 19.239 13.191 ( -10.031 -0.000 -4.201) 10.875 13.191 ( -10.031 0.000 4.201) 10.875 13.768 ( -1.887 -0.000 -2.621) 3.230 13.768 ( -1.887 0.000 2.621) 3.230 19.948 ( -3.960 -0.000 -2.821) 4.862 19.948 ( -3.960 0.000 2.821) 4.862 21.054 ( -12.024 -0.000 -16.081) 20.079 21.054 ( -12.024 0.000 16.081) 20.079 21.887 ( 5.631 -0.000 -3.437) 6.597 21.887 ( 5.631 0.000 3.437) 6.597 22.352 ( -1.994 -0.000 -0.791) 2.145 22.352 ( -1.994 0.000 0.791) 2.145 ======================= Grid point 296 (118/171) ======================= q-point: ( 0.30 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.200 1.812 -2.462) 3.767 0.959 ( -5.412 -0.199 -5.947) 8.043 1.509 ( -1.344 3.875 2.876) 5.009 1.543 ( -3.136 -0.256 4.464) 5.461 1.601 ( -3.452 -0.011 3.148) 4.672 1.729 ( -4.992 1.149 5.455) 7.483 1.746 ( -1.223 -0.005 8.249) 8.339 1.904 ( -1.617 1.760 -7.087) 7.479 1.956 ( -3.405 2.324 -3.236) 5.241 2.161 ( -11.474 -1.382 -17.347) 20.845 2.568 ( -8.143 1.208 -2.147) 8.508 2.707 ( -9.824 -1.285 -5.693) 11.427 3.882 ( 3.286 9.003 1.476) 9.697 4.072 ( 6.144 2.335 7.104) 9.678 4.140 ( 4.746 0.855 -0.047) 4.823 4.274 ( 4.756 -2.780 5.867) 8.048 4.373 ( 0.905 -5.282 -4.785) 7.184 4.480 ( 8.950 -0.932 -5.096) 10.341 4.821 ( -9.790 2.900 -1.176) 10.278 5.177 ( -4.781 -8.552 -3.001) 10.247 6.807 ( -1.511 10.056 4.048) 10.945 7.304 ( 0.164 -4.608 0.432) 4.631 7.523 ( 0.208 -0.950 3.954) 4.072 7.651 ( -2.875 -3.832 -3.779) 6.102 8.156 ( 5.262 3.589 2.520) 6.850 8.466 ( 5.881 -5.254 -1.050) 7.956 10.334 ( 13.828 15.967 5.996) 21.957 11.349 ( 15.134 -14.535 6.283) 21.904 12.148 ( -8.136 5.610 3.134) 10.368 12.493 ( 7.902 -2.089 0.306) 8.180 12.635 ( 5.300 3.237 5.128) 8.054 12.789 ( -7.229 -1.812 -1.115) 7.535 13.685 ( 0.564 2.626 -2.835) 3.905 13.767 ( 0.197 1.904 -6.795) 7.059 20.051 ( 6.953 0.255 4.976) 8.553 20.192 ( 9.866 -0.272 -6.552) 11.846 20.309 ( -8.340 1.485 6.873) 10.909 20.682 ( -15.753 -8.425 -11.609) 21.305 21.858 ( -7.459 0.019 -0.673) 7.489 21.918 ( -2.344 -1.329 -0.106) 2.696 22.263 ( 0.543 2.853 0.277) 2.917 22.298 ( 0.450 2.531 0.197) 2.578 ======================= Grid point 297 (119/171) ======================= q-point: ( 0.40 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -5.399 2.664 -0.000) 6.021 1.018 ( -7.987 -2.714 0.000) 8.435 1.517 ( 2.469 -1.080 0.000) 2.695 1.524 ( 3.719 -1.375 0.000) 3.965 1.733 ( -6.130 5.740 -0.000) 8.398 1.846 ( -0.174 1.035 -0.000) 1.050 1.851 ( -0.458 -0.566 0.000) 0.728 1.872 ( -4.546 -0.683 -0.000) 4.597 2.081 ( -8.659 3.924 -0.000) 9.507 2.227 ( -11.229 -3.771 0.000) 11.845 2.732 ( -12.874 2.974 -0.000) 13.213 2.826 ( -11.332 -1.791 0.000) 11.473 3.892 ( 6.910 7.587 -0.000) 10.262 4.039 ( 6.064 -0.385 0.000) 6.077 4.076 ( 6.346 5.974 -0.000) 8.715 4.230 ( 2.516 -3.184 0.000) 4.058 4.259 ( 10.140 -4.616 0.000) 11.141 4.283 ( 0.975 -4.121 0.000) 4.234 5.001 ( -10.292 2.772 -0.000) 10.659 5.173 ( -5.104 -6.331 0.000) 8.133 6.960 ( -2.746 9.837 -0.000) 10.213 7.249 ( -0.011 -5.405 0.000) 5.405 7.523 ( 2.387 -0.615 0.000) 2.465 7.584 ( 3.350 -4.115 0.000) 5.306 8.131 ( 3.798 3.718 -0.000) 5.315 8.314 ( 6.076 -5.378 0.000) 8.114 10.309 ( 13.551 16.556 -0.000) 21.395 10.963 ( 16.466 -17.430 0.000) 23.978 12.206 ( 7.692 2.864 -0.000) 8.208 12.292 ( 12.835 -1.032 0.000) 12.877 12.717 ( -5.411 9.914 -0.000) 11.295 12.940 ( -12.633 -3.200 0.000) 13.032 13.719 ( -3.004 0.062 -0.000) 3.005 13.738 ( -0.176 -0.760 0.000) 0.780 19.984 ( 5.668 0.425 0.000) 5.684 20.009 ( 7.194 -0.749 0.000) 7.233 20.562 ( -13.649 3.554 -0.000) 14.104 20.771 ( -14.547 -8.291 0.000) 16.743 21.932 ( 0.214 0.718 -0.000) 0.750 21.946 ( -4.197 -0.352 -0.000) 4.212 22.287 ( -0.575 2.081 -0.000) 2.159 22.310 ( 0.310 1.520 -0.000) 1.551 ======================= Grid point 306 (120/171) ======================= q-point: ( 0.30 -0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( -6.496 4.420 -0.000) 7.857 0.835 ( -5.862 3.168 -0.000) 6.663 1.388 ( -5.196 6.775 -0.000) 8.538 1.533 ( -2.129 -2.225 0.000) 3.079 1.597 ( -12.906 8.262 -0.000) 15.324 1.626 ( 1.218 -1.383 0.000) 1.843 1.743 ( -3.210 -3.699 0.000) 4.897 1.831 ( -0.814 -0.308 0.000) 0.871 1.848 ( -9.612 1.319 -0.000) 9.702 1.928 ( 0.229 3.097 -0.000) 3.105 2.525 ( -1.034 -2.574 0.000) 2.774 2.562 ( -7.743 -1.189 -0.000) 7.833 3.832 ( 1.874 8.611 -0.000) 8.813 4.181 ( 6.036 4.110 -0.000) 7.303 4.199 ( 4.152 -1.523 0.000) 4.422 4.397 ( 1.239 -2.777 0.000) 3.041 4.398 ( 2.069 -2.833 0.000) 3.508 4.545 ( -0.302 1.971 -0.000) 1.994 4.703 ( -1.205 -1.037 0.000) 1.590 5.181 ( -3.830 -9.982 0.000) 10.692 6.697 ( -0.875 11.919 -0.000) 11.951 7.360 ( 0.033 -5.336 0.000) 5.336 7.550 ( 0.079 -0.244 0.000) 0.256 7.562 ( -9.429 -1.892 0.000) 9.617 8.229 ( 5.672 2.163 -0.000) 6.070 8.592 ( 4.534 -4.977 0.000) 6.733 10.399 ( 12.234 17.116 -0.000) 21.039 11.770 ( 15.410 -14.382 0.000) 21.078 11.930 ( -11.827 7.068 -0.000) 13.778 12.619 ( -1.191 2.657 -0.000) 2.911 12.648 ( -3.531 -9.974 0.000) 10.580 12.809 ( 9.975 1.079 0.000) 10.033 13.673 ( 6.594 6.166 -0.000) 9.028 13.705 ( -0.504 3.928 -0.000) 3.960 20.088 ( -5.205 1.340 -0.000) 5.375 20.291 ( 5.669 1.637 -0.000) 5.901 20.341 ( 12.094 -0.549 0.000) 12.106 20.464 ( -16.928 -9.644 0.000) 19.482 21.722 ( -9.237 0.353 -0.000) 9.244 21.885 ( -4.292 -3.215 0.000) 5.363 22.251 ( 1.500 3.512 -0.000) 3.819 22.278 ( 0.228 3.173 -0.000) 3.181 ======================= Grid point 316 (121/171) ======================= q-point: ( 0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 0.000 9.399 -0.000) 9.399 0.695 ( 0.000 10.630 -0.000) 10.630 1.236 ( -0.000 -4.248 0.000) 4.248 1.397 ( 0.000 19.799 -0.000) 19.799 1.525 ( -0.000 -6.224 0.000) 6.224 1.658 ( -0.000 -2.201 0.000) 2.201 1.681 ( -0.000 -2.926 0.000) 2.926 1.724 ( 0.000 3.813 -0.000) 3.813 1.808 ( -0.000 -0.719 0.000) 0.719 1.954 ( 0.000 2.609 -0.000) 2.609 2.429 ( -0.000 -0.668 0.000) 0.668 2.509 ( -0.000 -4.066 0.000) 4.066 3.872 ( 0.000 2.575 -0.000) 2.575 4.217 ( -0.000 -0.074 0.000) 0.074 4.306 ( -0.000 -6.194 0.000) 6.194 4.402 ( 0.000 6.771 -0.000) 6.771 4.439 ( 0.000 8.074 -0.000) 8.074 4.451 ( -0.000 -3.723 0.000) 3.723 4.769 ( -0.000 -0.076 0.000) 0.076 5.127 ( -0.000 -10.529 0.000) 10.529 6.695 ( 0.000 12.245 -0.000) 12.245 7.356 ( -0.000 -5.127 0.000) 5.127 7.356 ( 0.000 6.518 -0.000) 6.518 7.554 ( -0.000 -0.601 0.000) 0.601 8.323 ( 0.000 1.303 -0.000) 1.303 8.662 ( -0.000 -4.982 0.000) 4.982 10.634 ( 0.000 19.306 -0.000) 19.306 11.699 ( 0.000 6.369 -0.000) 6.369 12.180 ( -0.000 -3.866 0.000) 3.866 12.259 ( -0.000 -20.032 0.000) 20.032 12.760 ( 0.000 0.982 -0.000) 0.982 12.922 ( -0.000 -1.937 0.000) 1.937 13.701 ( 0.000 5.626 -0.000) 5.626 13.901 ( -0.000 -0.920 0.000) 0.920 19.972 ( 0.000 1.472 -0.000) 1.472 20.133 ( -0.000 -1.971 0.000) 1.971 20.441 ( 0.000 1.756 -0.000) 1.756 20.590 ( -0.000 -1.993 0.000) 1.993 21.524 ( 0.000 1.963 -0.000) 1.963 21.788 ( -0.000 -4.363 0.000) 4.363 22.280 ( 0.000 3.127 -0.000) 3.127 22.281 ( 0.000 3.123 -0.000) 3.123 ======================= Grid point 317 (122/171) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -2.373 7.774 10.373) 13.178 0.840 ( -3.396 5.335 7.024) 9.452 1.311 ( -6.180 -2.649 7.352) 9.963 1.465 ( -0.771 -2.379 -0.660) 2.586 1.603 ( -0.046 4.595 -0.882) 4.679 1.645 ( -1.614 4.387 4.264) 6.327 1.684 ( -3.911 -1.413 5.389) 6.807 1.781 ( -1.218 2.238 2.104) 3.304 1.855 ( -3.543 0.593 7.910) 8.688 1.970 ( 0.438 1.734 1.822) 2.553 2.445 ( -2.737 -1.429 -2.301) 3.851 2.495 ( -2.892 -2.529 2.807) 4.758 3.907 ( -0.421 5.385 -0.179) 5.405 4.188 ( 1.738 -1.156 -5.632) 6.006 4.235 ( 0.831 -3.324 -0.358) 3.445 4.380 ( 0.671 -5.042 -2.076) 5.493 4.442 ( 2.376 6.370 -5.105) 8.502 4.571 ( -1.987 7.180 8.154) 11.044 4.725 ( 3.128 -1.194 -1.946) 3.872 5.069 ( -1.582 -9.950 5.901) 11.676 6.799 ( 0.577 11.144 -1.123) 11.215 7.291 ( -0.762 -5.558 -2.947) 6.337 7.466 ( -4.214 2.974 1.910) 5.500 7.545 ( -0.585 -0.346 -0.781) 1.035 8.305 ( 3.019 2.768 -2.815) 4.970 8.593 ( 2.194 -5.542 -0.451) 5.978 10.733 ( 10.019 19.359 -2.809) 21.979 11.702 ( -0.029 -1.158 -20.585) 20.618 11.907 ( 4.952 -5.008 -1.655) 7.234 12.289 ( -13.830 -11.232 -8.939) 19.933 12.748 ( 3.781 1.803 1.526) 4.458 12.886 ( 2.335 -2.244 0.582) 3.291 13.770 ( 1.198 4.157 5.786) 7.225 13.868 ( 6.336 1.214 8.068) 10.330 20.025 ( -1.987 1.113 1.156) 2.554 20.224 ( -11.024 -3.793 7.059) 13.629 20.410 ( 6.643 1.110 0.575) 6.760 20.512 ( 7.645 -1.231 3.060) 8.326 21.610 ( -6.744 1.677 1.534) 7.117 21.787 ( -3.993 -3.986 1.265) 5.782 22.297 ( 0.912 2.690 -0.752) 2.938 22.305 ( 0.045 2.598 -0.395) 2.629 ======================= Grid point 318 (123/171) ======================= q-point: ( 0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.158 4.971 8.806) 10.114 0.989 ( -1.305 0.987 11.577) 11.692 1.370 ( -5.047 -2.630 -2.907) 6.391 1.474 ( -1.162 -0.506 -3.561) 3.780 1.562 ( 2.184 0.049 -3.207) 3.881 1.707 ( -0.557 0.204 3.061) 3.118 1.749 ( 1.570 3.242 0.838) 3.698 1.944 ( -0.840 0.419 2.842) 2.993 1.974 ( -4.783 2.454 11.623) 12.806 2.167 ( -9.685 0.344 21.124) 23.241 2.461 ( -7.334 -0.185 -0.266) 7.341 2.626 ( -8.544 -0.717 9.476) 12.779 3.964 ( 0.253 6.168 -2.501) 6.661 4.076 ( 4.124 -0.328 -8.181) 9.168 4.177 ( 1.526 -0.927 -2.732) 3.263 4.319 ( 1.530 -4.535 -0.282) 4.794 4.351 ( 5.581 1.304 -6.826) 8.912 4.640 ( 5.663 0.094 3.202) 6.506 4.776 ( -5.695 6.612 7.543) 11.534 5.082 ( -2.936 -8.775 8.859) 12.810 6.841 ( 1.733 7.386 -6.994) 10.318 7.245 ( -2.092 -4.061 -0.781) 4.635 7.495 ( 0.644 0.235 -2.804) 2.887 7.597 ( -4.579 -0.814 1.742) 4.966 8.244 ( 5.039 4.196 -3.910) 7.635 8.495 ( 3.433 -5.360 0.299) 6.372 10.617 ( 16.183 13.674 -14.588) 25.723 11.372 ( 10.983 -8.252 -8.734) 16.280 11.965 ( -13.510 5.749 -14.957) 20.959 12.271 ( -10.633 -9.852 -15.274) 21.057 12.722 ( 4.050 2.750 2.056) 5.310 12.830 ( 4.250 -2.266 3.582) 6.002 13.808 ( 4.960 2.032 8.324) 9.900 13.906 ( 3.687 2.288 12.067) 12.824 20.048 ( -1.121 0.368 -4.069) 4.237 20.265 ( 7.787 0.597 -2.290) 8.139 20.409 ( 6.333 -1.677 9.259) 11.343 20.518 ( -11.563 -3.103 13.652) 18.158 21.748 ( -7.715 0.596 0.951) 7.796 21.845 ( -5.235 -2.362 1.824) 6.026 22.295 ( 1.052 2.096 -0.999) 2.549 22.319 ( 0.172 1.778 -0.746) 1.936 ======================= Grid point 319 (124/171) ======================= q-point: ( 0.60 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 2.007 2.024 12.740) 13.055 1.096 ( -2.301 -0.452 7.600) 7.954 1.404 ( -3.167 1.051 -7.276) 8.005 1.433 ( -0.760 -1.958 -3.979) 4.499 1.493 ( 0.102 -0.410 -5.306) 5.323 1.672 ( 5.414 -0.001 0.729) 5.463 1.780 ( 0.187 1.786 0.231) 1.810 1.995 ( -1.896 0.406 2.796) 3.403 2.133 ( -2.478 0.769 10.728) 11.037 2.294 ( 0.152 -1.108 1.642) 1.987 2.807 ( -17.217 1.609 20.050) 26.477 2.887 ( -10.918 -0.296 16.162) 19.507 3.865 ( 8.006 1.010 -12.845) 15.169 3.975 ( 1.649 1.353 -5.073) 5.503 4.065 ( 11.586 -0.127 -9.255) 14.829 4.226 ( -0.720 2.407 1.555) 2.955 4.329 ( -3.431 -4.500 0.151) 5.661 4.590 ( 6.403 0.471 5.942) 8.748 4.996 ( -5.785 5.701 7.502) 11.056 5.140 ( -3.364 -6.335 10.027) 12.328 6.761 ( 2.148 1.789 -12.649) 12.954 7.270 ( -3.475 0.395 -0.499) 3.533 7.434 ( 3.096 -1.066 -4.162) 5.295 7.656 ( -2.305 -0.905 1.203) 2.753 8.188 ( 3.437 3.098 0.000) 4.627 8.404 ( 4.062 -3.357 1.479) 5.473 10.274 ( 15.496 4.225 -23.755) 28.675 11.145 ( 9.494 -2.056 2.423) 10.011 12.088 ( -9.916 4.365 -14.285) 17.929 12.191 ( -10.268 -5.950 -17.749) 21.351 12.715 ( -0.701 2.191 -3.213) 3.952 12.787 ( 5.613 -1.660 8.456) 10.284 13.817 ( 5.097 0.699 8.492) 9.929 13.962 ( 4.318 0.999 10.394) 11.299 19.971 ( 6.015 -0.095 -3.297) 6.860 20.197 ( -2.442 0.309 -5.133) 5.692 20.350 ( 10.134 -0.163 10.778) 14.795 20.834 ( -14.972 -2.407 14.662) 21.093 21.859 ( -6.370 -0.452 -0.289) 6.393 21.911 ( -2.756 -0.155 0.669) 2.840 22.292 ( 0.319 1.034 -0.382) 1.148 22.319 ( 0.224 0.843 -1.321) 1.583 ======================= Grid point 320 (125/171) ======================= q-point: (-0.30 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 2.190 0.000 15.774) 15.926 1.184 ( -3.084 0.000 0.710) 3.165 1.337 ( 1.445 -0.000 -8.864) 8.981 1.356 ( 3.683 -0.000 -2.441) 4.418 1.520 ( -7.379 -0.000 -6.699) 9.966 1.582 ( 6.635 0.000 1.126) 6.729 1.780 ( 0.391 -0.000 -0.502) 0.636 2.042 ( -1.894 0.000 1.109) 2.195 2.261 ( -0.973 0.000 11.796) 11.836 2.274 ( 0.793 -0.000 -3.263) 3.358 3.172 ( -8.546 0.000 12.713) 15.318 3.191 ( -9.620 0.000 15.892) 18.577 3.596 ( 10.938 -0.000 -16.300) 19.630 3.787 ( 9.978 -0.000 -8.612) 13.181 3.962 ( -1.161 -0.000 -0.130) 1.169 4.291 ( -0.922 0.000 3.999) 4.104 4.337 ( -2.398 -0.000 -4.194) 4.831 4.571 ( 4.109 0.000 9.233) 10.106 5.128 ( -2.300 0.000 1.243) 2.615 5.260 ( -3.385 0.000 12.144) 12.606 6.630 ( 0.486 -0.000 -13.225) 13.234 7.314 ( 5.602 -0.000 -4.535) 7.208 7.336 ( -5.796 -0.000 -1.938) 6.112 7.666 ( 2.464 0.000 2.600) 3.582 8.220 ( -2.448 0.000 5.458) 5.982 8.335 ( 5.279 0.000 2.915) 6.030 9.898 ( 9.449 -0.000 -20.788) 22.834 11.057 ( 7.040 0.000 7.379) 10.198 12.014 ( 5.511 -0.000 -5.802) 8.002 12.261 ( -18.895 -0.000 -20.247) 27.694 12.723 ( -7.173 -0.000 -11.616) 13.652 12.775 ( 7.502 0.000 13.679) 15.601 13.809 ( 4.947 0.000 6.572) 8.225 13.966 ( 5.297 0.000 6.551) 8.425 19.864 ( 4.495 -0.000 -1.014) 4.608 20.215 ( -6.579 -0.000 -8.321) 10.607 20.289 ( 10.202 0.000 11.410) 15.306 21.160 ( -13.791 0.000 12.416) 18.556 21.914 ( 2.067 -0.000 -1.664) 2.654 21.934 ( -4.588 -0.000 -0.828) 4.662 22.300 ( -0.529 0.000 0.298) 0.608 22.305 ( 0.037 -0.000 -2.603) 2.603 ======================= Grid point 327 (126/171) ======================= q-point: ( 0.40 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 9.288 7.217) 11.762 0.864 ( 0.000 6.675 22.766) 23.725 1.433 ( 0.000 -3.877 17.379) 17.806 1.447 ( 0.000 8.364 5.211) 9.854 1.582 ( -0.000 -0.982 -0.256) 1.015 1.683 ( 0.000 -2.945 1.619) 3.361 1.691 ( 0.000 1.577 14.264) 14.351 1.819 ( 0.000 3.057 11.042) 11.457 1.872 ( 0.000 -0.740 6.375) 6.418 1.970 ( 0.000 3.041 2.552) 3.970 2.411 ( -0.000 0.166 -1.619) 1.627 2.524 ( 0.000 -3.872 2.233) 4.470 3.868 ( 0.000 2.909 -0.492) 2.950 4.129 ( -0.000 2.428 -8.992) 9.314 4.273 ( -0.000 -5.187 -3.862) 6.467 4.332 ( -0.000 4.528 -6.189) 7.669 4.405 ( -0.000 -1.361 -2.970) 3.267 4.568 ( 0.000 8.350 10.346) 13.296 4.726 ( -0.000 -0.821 -4.827) 4.896 5.220 ( 0.000 -9.380 9.631) 13.444 6.701 ( 0.000 10.744 0.632) 10.763 7.273 ( -0.000 -2.226 -4.982) 5.456 7.438 ( 0.000 2.305 4.636) 5.177 7.522 ( -0.000 -0.149 -4.063) 4.066 8.271 ( -0.000 2.079 -5.709) 6.076 8.653 ( -0.000 -5.102 -1.007) 5.201 10.629 ( 0.000 17.428 -0.464) 17.435 11.431 ( -0.000 3.736 -26.058) 26.325 11.866 ( -0.000 -0.873 -31.653) 31.665 12.264 ( -0.000 -17.146 -3.752) 17.552 12.782 ( 0.000 0.855 2.723) 2.854 12.937 ( 0.000 -2.762 2.945) 4.037 13.805 ( 0.000 5.946 10.481) 12.051 13.996 ( 0.000 1.158 8.573) 8.651 20.129 ( 0.000 -3.308 14.963) 15.324 20.170 ( 0.000 -1.510 4.107) 4.376 20.480 ( 0.000 0.848 5.216) 5.285 20.609 ( 0.000 -2.090 2.264) 3.081 21.563 ( 0.000 0.964 4.065) 4.178 21.810 ( 0.000 -4.357 2.268) 4.912 22.269 ( -0.000 3.161 -1.225) 3.390 22.273 ( 0.000 3.034 -0.672) 3.107 ======================= Grid point 328 (127/171) ======================= q-point: ( 0.50 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 0.159 7.778 8.176) 11.286 1.087 ( 0.579 4.628 16.112) 16.773 1.429 ( 4.642 -2.928 0.131) 5.490 1.500 ( 1.149 -2.764 6.314) 6.988 1.564 ( 1.495 0.308 -1.288) 1.998 1.706 ( -0.987 0.453 6.122) 6.218 1.842 ( 5.998 0.953 8.933) 10.802 1.968 ( -2.075 1.763 10.621) 10.964 1.989 ( -1.047 2.227 9.750) 10.055 2.168 ( -15.468 2.848 26.060) 30.438 2.401 ( 0.566 -1.016 -2.138) 2.434 2.594 ( -7.382 -0.868 10.282) 12.687 3.898 ( 0.218 5.296 -1.035) 5.401 4.052 ( 2.681 1.247 -9.591) 10.036 4.181 ( 1.356 -3.142 -5.388) 6.382 4.293 ( -3.125 -2.122 -7.149) 8.086 4.372 ( 4.531 2.896 -4.027) 6.718 4.663 ( -0.174 -0.445 -4.843) 4.866 4.760 ( -0.943 8.022 13.208) 15.482 5.236 ( -0.258 -8.335 12.016) 14.626 6.764 ( 2.860 7.881 -2.653) 8.794 7.214 ( -2.626 -4.015 -5.619) 7.389 7.475 ( 0.314 0.830 -3.195) 3.316 7.530 ( -4.424 0.348 -0.018) 4.438 8.228 ( 2.876 4.425 -5.095) 7.335 8.581 ( 1.493 -5.619 -0.795) 5.868 10.622 ( 15.254 12.863 -10.841) 22.708 11.308 ( -6.578 3.147 -22.076) 23.249 11.594 ( -3.879 1.324 -29.235) 29.521 12.114 ( -7.175 -14.423 -11.895) 20.025 12.787 ( 3.549 0.797 2.790) 4.584 12.932 ( 1.079 -3.139 4.832) 5.862 13.931 ( 3.191 4.529 11.251) 12.541 14.053 ( 4.120 2.344 11.101) 12.070 20.080 ( 5.913 -0.760 5.041) 7.808 20.355 ( -1.157 0.207 4.323) 4.480 20.493 ( -2.976 -5.426 10.847) 12.489 20.604 ( 2.696 -0.569 7.733) 8.209 21.653 ( -5.588 0.525 3.010) 6.369 21.821 ( -3.475 -3.591 2.204) 5.462 22.279 ( 0.728 2.605 -1.088) 2.916 22.292 ( 0.010 2.402 -0.865) 2.553 ======================= Grid point 329 (128/171) ======================= q-point: ( 0.60 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -0.545 5.668 6.580) 8.702 1.207 ( 2.081 -1.424 10.130) 10.439 1.359 ( 2.501 2.591 1.692) 3.979 1.479 ( 2.326 -1.501 -0.756) 2.869 1.516 ( 3.116 -2.927 3.651) 5.622 1.767 ( -0.155 0.659 2.921) 2.998 1.825 ( 8.231 1.284 9.278) 12.469 1.989 ( 0.168 0.089 1.893) 1.903 2.176 ( -3.090 2.381 12.654) 13.242 2.337 ( 2.853 -1.550 -0.872) 3.362 2.721 ( -18.007 2.097 28.176) 33.504 2.873 ( -10.635 0.631 18.973) 21.759 3.858 ( 7.169 2.160 -12.110) 14.238 3.946 ( 0.949 1.032 -4.012) 4.250 4.121 ( 1.796 1.837 -3.331) 4.207 4.202 ( 6.274 1.106 -9.253) 11.234 4.299 ( -4.073 -4.628 -3.311) 6.998 4.645 ( -0.295 1.215 -2.297) 2.616 4.973 ( -1.832 6.889 13.830) 15.559 5.274 ( -0.384 -6.584 12.285) 13.944 6.703 ( 4.786 2.432 -8.125) 9.738 7.191 ( -3.329 -0.638 -5.636) 6.577 7.438 ( 1.113 -0.026 -4.536) 4.671 7.593 ( -5.972 -1.369 -2.274) 6.535 8.201 ( 3.409 5.782 -0.164) 6.714 8.498 ( 2.150 -5.178 0.321) 5.616 10.281 ( 17.484 4.512 -22.594) 28.923 11.224 ( 4.116 3.725 -8.141) 9.853 11.592 ( -20.171 3.873 -24.915) 32.290 11.996 ( -9.368 -10.939 -17.050) 22.319 12.738 ( 5.607 0.513 0.821) 5.690 12.936 ( 1.934 -2.182 7.324) 7.883 13.978 ( 6.447 2.462 10.022) 12.168 14.110 ( 4.653 2.485 10.580) 11.822 20.028 ( 4.572 -0.210 1.557) 4.835 20.248 ( 9.948 0.481 0.157) 9.961 20.583 ( 5.940 -0.720 11.104) 12.614 20.766 ( -13.671 -4.390 13.987) 20.045 21.762 ( -6.584 -0.855 0.050) 6.640 21.873 ( -3.787 -1.108 1.152) 4.110 22.282 ( 0.561 1.875 -0.463) 2.011 22.300 ( 0.212 1.378 -1.055) 1.749 ======================= Grid point 330 (129/171) ======================= q-point: ( 0.70 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -1.696 2.757 3.609) 4.848 1.189 ( 0.848 -1.535 -0.806) 1.930 1.380 ( 4.358 -0.049 -5.329) 6.884 1.418 ( 2.694 0.683 10.420) 10.784 1.511 ( 2.213 -1.434 9.312) 9.678 1.759 ( 11.229 -0.259 11.103) 15.794 1.785 ( 1.118 0.890 0.246) 1.450 2.011 ( -2.019 0.084 -0.814) 2.178 2.265 ( 1.665 -0.154 -3.328) 3.725 2.351 ( -1.080 0.813 14.072) 14.137 3.162 ( -9.281 1.165 18.308) 20.560 3.200 ( -8.773 0.258 18.787) 20.736 3.607 ( 8.815 -0.569 -15.946) 18.229 3.879 ( 11.689 2.911 -7.937) 14.425 3.959 ( 0.832 -1.980 -0.657) 2.245 4.210 ( -4.341 3.265 -4.597) 7.116 4.296 ( -3.876 -3.553 -2.333) 5.752 4.642 ( 0.277 0.997 -0.501) 1.150 5.144 ( 0.147 2.638 9.628) 9.984 5.349 ( -1.214 -2.049 12.618) 12.841 6.560 ( 3.487 -0.746 -10.230) 10.834 7.208 ( -4.783 1.740 -5.011) 7.142 7.355 ( 2.962 -1.377 -5.237) 6.172 7.654 ( -4.900 -0.381 -1.523) 5.145 8.234 ( 0.962 4.066 4.653) 6.254 8.433 ( 2.479 -3.345 2.181) 4.700 9.874 ( 12.282 0.604 -21.365) 24.651 11.158 ( 3.232 2.720 -0.612) 4.268 11.751 ( -21.530 2.423 -21.075) 30.226 11.907 ( -9.108 -6.175 -17.386) 20.575 12.651 ( 5.154 0.230 -2.252) 5.630 12.956 ( 2.994 -0.820 9.086) 9.601 13.966 ( 7.249 0.979 8.095) 10.910 14.120 ( 6.753 1.139 7.622) 10.246 19.951 ( 6.430 -0.087 0.848) 6.486 20.140 ( 3.295 0.178 -1.960) 3.838 20.561 ( 10.103 -0.059 13.689) 17.013 21.060 ( -14.125 -2.271 11.386) 18.284 21.837 ( -6.119 -0.688 -2.850) 6.785 21.912 ( -0.856 0.211 -0.472) 1.000 22.281 ( 0.642 1.055 -2.178) 2.504 22.299 ( -0.039 0.241 0.475) 0.534 ======================= Grid point 331 (130/171) ======================= q-point: (-0.20 0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 4.411 -0.000 -3.102) 5.393 1.157 ( 0.018 -0.000 -5.199) 5.199 1.297 ( -1.977 -0.000 -2.484) 3.174 1.472 ( 4.473 0.000 15.128) 15.776 1.563 ( 1.765 0.000 9.140) 9.309 1.670 ( 12.232 0.000 11.903) 17.068 1.779 ( 1.014 0.000 0.863) 1.332 2.035 ( -2.437 -0.000 -1.405) 2.813 2.192 ( 2.845 -0.000 -6.079) 6.712 2.476 ( 0.730 0.000 12.149) 12.170 3.261 ( 10.305 -0.000 -13.218) 16.760 3.292 ( 3.270 0.000 0.777) 3.361 3.503 ( -2.917 0.000 10.692) 11.083 3.652 ( 5.760 -0.000 -6.574) 8.741 4.026 ( -3.555 0.000 7.351) 8.165 4.196 ( -1.389 -0.000 -11.233) 11.319 4.340 ( -3.279 0.000 1.788) 3.735 4.658 ( -2.486 -0.000 -0.679) 2.577 5.167 ( 5.797 0.000 4.304) 7.220 5.473 ( -1.583 0.000 11.194) 11.306 6.441 ( 0.453 -0.000 -8.523) 8.535 7.254 ( 3.364 -0.000 -2.433) 4.152 7.305 ( -9.395 0.000 0.108) 9.395 7.693 ( -1.095 -0.000 -0.242) 1.121 8.317 ( -3.247 0.000 5.139) 6.079 8.400 ( 3.386 0.000 4.310) 5.481 9.592 ( 4.476 -0.000 -13.642) 14.357 11.164 ( 0.569 0.000 5.502) 5.531 11.863 ( -6.088 -0.000 -12.548) 13.947 11.915 ( -20.787 -0.000 -19.107) 28.235 12.553 ( 2.562 -0.000 -6.820) 7.285 12.984 ( 3.703 0.000 10.222) 10.872 13.916 ( 7.643 0.000 5.408) 9.363 14.057 ( 8.689 0.000 3.903) 9.525 19.872 ( 4.525 0.000 1.798) 4.869 20.102 ( -1.737 -0.000 -5.034) 5.325 20.512 ( 12.055 0.000 14.270) 18.680 21.340 ( -12.689 0.000 8.399) 15.217 21.883 ( 3.322 -0.000 -1.727) 3.744 21.894 ( -5.599 -0.000 -4.410) 7.127 22.245 ( 1.184 -0.000 -3.822) 4.002 22.307 ( 0.141 0.000 0.373) 0.399 ======================= Grid point 338 (131/171) ======================= q-point: ( 0.50 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 0.000 7.599 8.660) 11.521 1.131 ( 0.000 10.959 9.475) 14.488 1.495 ( -0.000 -3.398 -2.416) 4.170 1.559 ( -0.000 -3.452 -1.311) 3.692 1.586 ( 0.000 -1.533 5.214) 5.435 1.806 ( 0.000 -1.152 6.823) 6.920 1.970 ( 0.000 2.052 5.928) 6.273 2.069 ( 0.000 3.002 16.850) 17.116 2.112 ( 0.000 -0.754 13.433) 13.454 2.177 ( 0.000 1.352 31.357) 31.387 2.428 ( 0.000 3.751 8.528) 9.317 2.640 ( 0.000 -2.011 14.304) 14.445 3.852 ( -0.000 3.669 -1.667) 4.029 3.955 ( -0.000 5.112 -10.180) 11.392 4.179 ( -0.000 -2.713 -6.887) 7.402 4.192 ( -0.000 -0.596 -9.880) 9.898 4.341 ( -0.000 3.475 -4.383) 5.593 4.609 ( -0.000 -1.017 -8.517) 8.578 4.785 ( 0.000 9.388 14.203) 17.025 5.407 ( 0.000 -6.580 10.618) 12.492 6.717 ( 0.000 6.511 1.323) 6.644 7.177 ( -0.000 -4.698 -6.476) 8.001 7.405 ( -0.000 1.479 -9.433) 9.548 7.502 ( 0.000 0.562 1.933) 2.013 8.157 ( -0.000 4.936 -5.957) 7.736 8.631 ( -0.000 -4.524 -1.465) 4.755 10.618 ( 0.000 10.911 -1.267) 10.984 10.925 ( -0.000 2.432 -30.652) 30.748 11.272 ( -0.000 4.042 -33.151) 33.396 12.095 ( -0.000 -14.324 -14.530) 20.403 12.849 ( 0.000 -0.795 4.807) 4.873 13.019 ( 0.000 -5.035 5.433) 7.407 14.003 ( 0.000 6.372 11.379) 13.041 14.135 ( 0.000 4.732 6.964) 8.420 20.265 ( 0.000 -0.350 6.543) 6.552 20.344 ( 0.000 -2.952 8.207) 8.721 20.652 ( 0.000 -5.501 14.054) 15.092 20.670 ( 0.000 -2.492 4.885) 5.484 21.637 ( 0.000 -0.488 3.568) 3.602 21.847 ( -0.000 -3.936 1.276) 4.138 22.250 ( 0.000 2.880 -0.474) 2.918 22.267 ( 0.000 2.257 0.348) 2.284 ======================= Grid point 339 (132/171) ======================= q-point: ( 0.60 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.500 6.557 7.505) 9.978 1.295 ( 0.112 5.592 7.736) 9.547 1.405 ( 4.086 -0.511 -1.132) 4.270 1.501 ( 1.365 -2.240 -2.695) 3.761 1.622 ( -0.620 -2.581 5.129) 5.775 1.817 ( 2.171 -0.913 3.949) 4.598 1.977 ( 4.756 1.806 4.566) 6.836 2.122 ( 5.873 -2.481 10.074) 11.922 2.241 ( 0.748 3.623 17.342) 17.732 2.385 ( 1.434 -0.211 4.375) 4.609 2.742 ( -11.300 3.036 35.120) 37.018 2.890 ( -8.980 0.967 23.452) 25.131 3.835 ( 5.601 4.437 -8.781) 11.321 3.903 ( -0.196 1.624 -4.969) 5.231 4.073 ( -0.771 -1.919 -6.448) 6.772 4.149 ( -2.471 0.454 -9.692) 10.012 4.288 ( 4.966 1.378 -5.574) 7.591 4.558 ( -3.182 0.868 -7.033) 7.768 5.007 ( -1.149 8.623 14.529) 16.934 5.435 ( 0.718 -5.369 9.797) 11.195 6.718 ( 5.302 2.318 -2.521) 6.312 7.096 ( -2.965 -3.055 -8.049) 9.106 7.363 ( -2.436 1.886 -8.996) 9.509 7.506 ( -2.917 -2.163 -3.995) 5.399 8.177 ( 1.525 7.318 0.404) 7.486 8.570 ( 1.109 -4.593 -0.614) 4.765 10.345 ( 19.670 2.755 -20.249) 28.364 11.002 ( -21.898 4.329 -18.159) 28.776 11.095 ( -0.718 7.467 -20.888) 22.194 11.863 ( -4.459 -13.886 -16.662) 22.143 12.843 ( 4.667 -0.893 3.645) 5.988 13.023 ( -0.767 -4.146 4.963) 6.512 14.114 ( 4.448 4.796 9.278) 11.352 14.216 ( 2.357 3.973 7.558) 8.858 20.184 ( 10.284 -0.645 6.586) 12.229 20.407 ( 7.533 1.628 2.868) 8.223 20.680 ( -5.830 -5.833 9.525) 12.599 20.788 ( -4.766 -3.668 12.690) 14.043 21.689 ( -3.652 -0.373 0.454) 3.699 21.844 ( -2.710 -2.285 0.038) 3.545 22.269 ( 0.434 2.038 0.172) 2.091 22.287 ( 0.128 1.443 0.543) 1.547 ======================= Grid point 340 (133/171) ======================= q-point: ( 0.70 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 0.473 4.038 5.074) 6.502 1.250 ( 5.191 -2.353 -0.460) 5.718 1.405 ( 3.903 0.025 -3.647) 5.342 1.493 ( -1.555 2.189 7.709) 8.163 1.652 ( 1.876 -0.394 8.210) 8.431 1.805 ( 1.481 -0.780 1.696) 2.383 1.972 ( 1.503 1.609 1.855) 2.879 2.088 ( 8.364 -2.182 12.874) 15.507 2.292 ( 6.132 1.095 1.983) 6.537 2.466 ( 0.502 1.663 17.398) 17.485 3.195 ( -8.207 1.767 24.244) 25.656 3.240 ( -8.048 1.321 21.996) 23.459 3.618 ( 9.018 -0.993 -14.017) 16.697 3.904 ( 1.321 3.242 -1.399) 3.770 4.008 ( 6.820 0.702 -11.808) 13.654 4.083 ( -2.587 1.648 -2.137) 3.739 4.221 ( -4.417 -2.635 -5.353) 7.424 4.572 ( -2.977 2.039 -5.835) 6.860 5.211 ( -0.380 5.924 13.005) 14.296 5.459 ( 0.596 -2.841 7.870) 8.389 6.581 ( 6.224 -2.508 -5.868) 8.914 7.080 ( -4.521 0.430 -5.526) 7.153 7.326 ( -0.321 0.513 -8.306) 8.328 7.522 ( -7.724 -1.396 -6.030) 9.898 8.246 ( 1.666 6.769 5.079) 8.626 8.509 ( 1.513 -3.672 0.683) 4.029 9.906 ( 15.198 -0.399 -19.432) 24.672 11.057 ( -5.099 7.653 -13.853) 16.628 11.230 ( -19.819 2.899 -13.000) 23.879 11.688 ( -8.190 -11.656 -18.085) 23.022 12.762 ( 7.494 -1.044 1.840) 7.787 13.049 ( -0.485 -2.355 5.432) 5.940 14.129 ( 7.122 2.856 7.224) 10.539 14.256 ( 4.936 2.784 6.357) 8.516 20.083 ( 8.745 -0.047 4.232) 9.716 20.262 ( 11.880 0.362 1.250) 11.951 20.788 ( 2.126 -1.004 12.497) 12.717 20.982 ( -11.633 -4.166 11.061) 16.584 21.725 ( -4.868 -1.433 -4.933) 7.077 21.880 ( -2.633 0.263 -0.290) 2.662 22.273 ( 1.075 1.065 -0.401) 1.565 22.302 ( 0.027 0.631 1.085) 1.255 ======================= Grid point 341 (134/171) ======================= q-point: (-0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 2.420 -0.578 -1.879) 3.117 1.200 ( 2.775 0.748 1.858) 3.422 1.298 ( 3.668 -0.484 -2.482) 4.455 1.581 ( -0.318 -0.404 6.950) 6.969 1.705 ( 3.302 1.581 11.071) 11.661 1.787 ( 1.279 -0.295 0.085) 1.315 1.990 ( -0.727 0.948 0.748) 1.410 2.050 ( 11.115 -1.371 16.521) 19.959 2.204 ( 6.243 0.292 -0.998) 6.329 2.598 ( 2.455 1.221 12.899) 13.187 3.315 ( 9.449 -0.300 -9.279) 13.247 3.378 ( 4.553 -0.991 4.215) 6.283 3.533 ( -5.970 0.608 14.020) 15.250 3.721 ( 11.967 1.124 -10.341) 15.856 4.018 ( -4.694 2.128 4.571) 6.888 4.089 ( -1.477 -1.011 -5.907) 6.172 4.265 ( -6.492 0.012 -1.646) 6.697 4.576 ( -2.542 1.151 -6.377) 6.961 5.315 ( 4.699 1.037 9.432) 10.588 5.520 ( -1.721 1.441 6.443) 6.823 6.423 ( 3.377 -3.363 -5.447) 7.237 7.162 ( -7.658 1.696 1.047) 7.914 7.259 ( -0.169 -1.022 -5.420) 5.518 7.590 ( -8.058 0.031 -6.172) 10.150 8.324 ( 0.638 3.671 5.200) 6.397 8.472 ( 1.670 -1.385 1.765) 2.797 9.580 ( 7.854 -1.189 -11.846) 14.263 11.134 ( -5.126 5.534 -2.048) 7.816 11.435 ( -20.845 0.265 -14.596) 25.448 11.594 ( -11.429 -6.789 -17.655) 22.100 12.637 ( 8.809 -0.654 0.230) 8.836 13.083 ( 0.313 -0.856 5.570) 5.644 14.083 ( 8.371 1.211 5.240) 9.950 14.220 ( 8.138 1.193 4.029) 9.158 19.988 ( 7.651 0.072 3.005) 8.221 20.117 ( 7.124 0.088 -0.909) 7.183 20.813 ( 9.447 -0.103 15.096) 17.808 21.222 ( -12.612 -1.921 7.513) 14.806 21.743 ( -6.361 -0.100 -8.303) 10.460 21.900 ( 0.109 0.120 -0.868) 0.883 22.246 ( 2.096 0.219 -1.514) 2.595 22.314 ( 0.165 0.178 0.906) 0.938 ======================= Grid point 342 (135/171) ======================= q-point: (-0.10 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 8.641 -0.000 -4.512) 9.748 1.095 ( 2.331 -0.000 -2.009) 3.077 1.314 ( -3.198 0.000 2.721) 4.199 1.628 ( 1.163 0.000 6.339) 6.445 1.748 ( 4.565 0.000 10.242) 11.213 1.762 ( 1.437 -0.000 -0.416) 1.496 2.013 ( 10.692 0.000 14.751) 18.218 2.020 ( -1.143 0.000 0.901) 1.456 2.090 ( 7.920 -0.000 -0.739) 7.954 2.595 ( 5.758 -0.000 -1.537) 5.959 3.112 ( 9.072 0.000 0.927) 9.119 3.225 ( 13.205 -0.000 -7.090) 14.988 3.491 ( 7.124 -0.000 -8.831) 11.346 3.717 ( -4.749 0.000 8.460) 9.701 3.993 ( 0.660 -0.000 -10.851) 10.871 4.183 ( -4.411 0.000 9.864) 10.806 4.359 ( -5.782 0.000 0.565) 5.810 4.559 ( -3.039 -0.000 -8.971) 9.472 5.263 ( 10.194 0.000 5.353) 11.514 5.617 ( -2.276 0.000 5.329) 5.794 6.335 ( 1.091 -0.000 -4.018) 4.163 7.235 ( -1.987 0.000 0.145) 1.993 7.365 ( -11.754 0.000 6.568) 13.465 7.645 ( -5.424 -0.000 -5.288) 7.575 8.385 ( -2.258 0.000 2.618) 3.457 8.449 ( 2.447 0.000 0.698) 2.545 9.459 ( -0.355 -0.000 -2.021) 2.052 11.259 ( -5.611 0.000 5.896) 8.139 11.616 ( -13.594 -0.000 -13.752) 19.337 11.625 ( -20.118 -0.000 -14.173) 24.609 12.489 ( 9.548 -0.000 -1.392) 9.649 13.119 ( 0.598 0.000 5.308) 5.342 13.988 ( 9.348 0.000 2.899) 9.787 14.102 ( 11.029 0.000 1.547) 11.137 19.918 ( 4.607 0.000 3.170) 5.592 20.031 ( 1.930 -0.000 -3.500) 3.997 20.759 ( 13.502 0.000 13.216) 18.894 21.450 ( -11.661 0.000 4.493) 12.496 21.778 ( -7.037 -0.000 -8.340) 10.912 21.859 ( 3.814 -0.000 -1.028) 3.951 22.192 ( 2.771 -0.000 -1.996) 3.415 22.311 ( 1.041 0.000 0.113) 1.047 ======================= Grid point 343 (136/171) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 9.574 0.000 -0.000) 9.574 1.080 ( 2.886 0.000 -0.000) 2.886 1.343 ( -3.305 -0.000 0.000) 3.305 1.706 ( 1.070 0.000 -0.000) 1.070 1.743 ( 0.036 0.000 -0.000) 0.036 1.837 ( 1.587 0.000 -0.000) 1.587 1.998 ( 7.041 0.000 -0.000) 7.041 2.063 ( 3.280 0.000 -0.000) 3.280 2.246 ( 11.619 0.000 -0.000) 11.619 2.520 ( 9.074 0.000 -0.000) 9.074 3.136 ( 18.316 0.000 -0.000) 18.316 3.219 ( 10.022 0.000 -0.000) 10.022 3.346 ( 2.418 0.000 -0.000) 2.418 3.804 ( -4.727 -0.000 0.000) 4.727 3.879 ( 3.463 0.000 -0.000) 3.463 4.317 ( -8.369 -0.000 0.000) 8.369 4.358 ( -6.095 -0.000 0.000) 6.095 4.433 ( 1.028 0.000 -0.000) 1.028 5.314 ( 11.040 0.000 -0.000) 11.040 5.661 ( -3.225 -0.000 0.000) 3.225 6.300 ( 1.900 0.000 -0.000) 1.900 7.241 ( -5.207 -0.000 0.000) 5.207 7.479 ( -11.133 -0.000 0.000) 11.133 7.545 ( -8.544 -0.000 0.000) 8.544 8.407 ( -1.559 -0.000 0.000) 1.559 8.445 ( 2.722 0.000 -0.000) 2.722 9.460 ( -2.973 -0.000 0.000) 2.973 11.346 ( -7.558 -0.000 0.000) 7.558 11.464 ( -20.052 -0.000 0.000) 20.052 11.480 ( -14.784 -0.000 0.000) 14.784 12.481 ( 11.039 0.000 -0.000) 11.039 13.165 ( -0.612 -0.000 0.000) 0.612 14.013 ( 9.937 0.000 -0.000) 9.937 14.115 ( 11.894 0.000 -0.000) 11.894 19.970 ( 2.720 0.000 -0.000) 2.720 19.978 ( 5.190 0.000 -0.000) 5.190 20.894 ( 14.544 0.000 -0.000) 14.544 21.492 ( -10.801 -0.000 0.000) 10.801 21.681 ( -8.427 -0.000 0.000) 8.427 21.849 ( 3.929 0.000 -0.000) 3.929 22.176 ( 3.287 0.000 -0.000) 3.287 22.312 ( 1.440 0.000 -0.000) 1.440 ======================= Grid point 349 (137/171) ======================= q-point: ( 0.60 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -0.000 6.699 8.244) 10.623 1.257 ( -0.000 11.808 5.952) 13.224 1.439 ( -0.000 -2.565 -3.214) 4.112 1.510 ( 0.000 -2.878 -3.480) 4.516 1.691 ( -0.000 -4.960 5.886) 7.698 1.851 ( -0.000 0.664 0.149) 0.681 2.011 ( 0.000 2.965 -0.230) 2.974 2.230 ( 0.000 -3.019 1.191) 3.245 2.429 ( -0.000 1.874 22.706) 22.783 2.486 ( -0.000 2.426 13.814) 14.026 2.930 ( 0.000 3.503 37.350) 37.514 3.038 ( 0.000 0.047 27.968) 27.968 3.792 ( 0.000 5.128 -5.939) 7.847 3.804 ( 0.000 4.406 -6.866) 8.158 4.022 ( 0.000 -2.601 -8.532) 8.920 4.035 ( 0.000 -0.166 -10.038) 10.040 4.260 ( 0.000 4.877 -4.563) 6.679 4.449 ( -0.000 -0.192 -9.426) 9.428 5.031 ( -0.000 9.326 13.745) 16.610 5.540 ( 0.000 -2.580 3.796) 4.590 6.746 ( -0.000 0.621 1.933) 2.030 7.038 ( 0.000 -5.430 -9.866) 11.261 7.220 ( 0.000 3.372 -10.849) 11.361 7.468 ( -0.000 -3.269 -6.259) 7.061 8.130 ( 0.000 8.120 3.825) 8.976 8.597 ( 0.000 -2.070 -2.696) 3.399 10.432 ( 0.000 2.055 -25.361) 25.444 10.498 ( 0.000 0.359 -16.454) 16.457 10.890 ( 0.000 8.202 -6.247) 10.310 11.806 ( 0.000 -12.368 -18.213) 22.016 12.939 ( 0.000 -2.748 5.397) 6.056 13.095 ( -0.000 -6.108 3.037) 6.821 14.172 ( -0.000 6.455 7.887) 10.192 14.232 ( -0.000 6.597 4.474) 7.971 20.380 ( -0.000 0.979 6.407) 6.481 20.443 ( 0.000 0.018 4.302) 4.302 20.776 ( 0.000 -3.457 7.280) 8.059 20.887 ( 0.000 -9.294 11.759) 14.989 21.664 ( 0.000 0.503 -0.459) 0.681 21.834 ( -0.000 -2.225 -2.940) 3.687 22.265 ( 0.000 1.468 2.111) 2.571 22.290 ( -0.000 0.365 2.205) 2.235 ======================= Grid point 350 (138/171) ======================= q-point: ( 0.70 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 1.793 5.267 6.220) 8.345 1.341 ( 3.804 -1.037 -0.303) 3.955 1.427 ( 1.468 3.588 0.653) 3.931 1.464 ( -2.699 1.564 0.170) 3.125 1.707 ( -1.653 -3.839 4.341) 6.026 1.839 ( 0.799 -0.726 -0.694) 1.283 2.018 ( 3.201 3.406 2.028) 5.095 2.198 ( 0.672 -2.090 -0.687) 2.300 2.532 ( 10.323 1.598 17.178) 20.105 2.640 ( 2.190 2.300 20.509) 20.753 3.302 ( -4.394 2.479 27.860) 28.313 3.319 ( -4.813 1.368 22.895) 23.435 3.664 ( 8.954 0.708 -8.168) 12.141 3.835 ( -3.155 3.283 -4.309) 6.269 3.933 ( 1.805 0.788 -11.593) 11.759 4.003 ( -6.183 0.054 -4.913) 7.897 4.198 ( 5.526 1.312 -4.277) 7.109 4.435 ( -4.671 2.335 -6.679) 8.478 5.233 ( -1.276 7.909 11.094) 13.684 5.535 ( 0.717 -1.576 1.396) 2.224 6.677 ( 6.553 -3.583 -2.682) 7.936 6.966 ( -5.663 -2.185 -5.652) 8.294 7.195 ( -2.803 3.130 -9.216) 10.128 7.391 ( -3.475 -3.227 -8.693) 9.902 8.249 ( 0.833 7.503 7.223) 10.448 8.551 ( 1.125 -1.568 -1.877) 2.693 10.005 ( 17.191 -0.850 -17.162) 24.306 10.603 ( -19.195 3.901 -20.746) 28.531 10.984 ( -5.688 5.085 0.774) 7.669 11.564 ( -3.596 -12.087 -17.414) 21.501 12.906 ( 5.903 -2.504 3.306) 7.214 13.090 ( -2.420 -4.210 2.740) 5.576 14.240 ( 4.936 4.902 5.341) 8.770 14.316 ( 1.447 4.719 4.190) 6.474 20.290 ( 12.153 0.178 5.286) 13.254 20.457 ( 10.153 1.886 2.684) 10.669 20.831 ( -7.598 -5.721 7.870) 12.345 20.993 ( -7.706 -5.037 10.454) 13.930 21.656 ( 0.555 -0.015 -4.118) 4.155 21.823 ( -3.279 0.048 -1.942) 3.811 22.286 ( 0.829 0.534 1.581) 1.864 22.309 ( -0.007 0.262 1.692) 1.712 ======================= Grid point 351 (139/171) ======================= q-point: ( 0.80 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 2.658 0.035 0.665) 2.740 1.271 ( 4.724 0.694 2.675) 5.473 1.350 ( 4.595 -0.743 -2.234) 5.163 1.597 ( -3.233 3.376 4.380) 6.406 1.743 ( -2.169 -1.245 2.213) 3.339 1.814 ( -0.066 -1.187 -0.959) 1.528 2.030 ( 3.533 3.221 5.804) 7.520 2.158 ( 1.683 -0.754 -1.759) 2.548 2.491 ( 13.863 0.011 15.532) 20.818 2.765 ( 5.586 1.781 14.709) 15.835 3.395 ( 8.191 0.059 -3.773) 9.018 3.517 ( 5.652 -1.865 6.063) 8.497 3.575 ( -3.272 1.844 15.365) 15.817 3.754 ( 6.706 1.151 -15.123) 16.583 3.931 ( -3.589 5.380 2.459) 6.919 4.080 ( -2.064 -0.251 1.784) 2.740 4.127 ( -5.466 -0.799 -5.085) 7.508 4.467 ( -2.812 2.318 -5.434) 6.543 5.397 ( -0.912 5.335 7.979) 9.641 5.524 ( 0.434 0.249 0.269) 0.568 6.503 ( 5.272 -6.229 -3.140) 8.743 7.057 ( -8.294 0.064 3.527) 9.013 7.180 ( -2.047 1.407 -7.314) 7.725 7.385 ( -8.487 -0.981 -9.719) 12.941 8.351 ( 1.659 5.048 6.218) 8.180 8.508 ( 1.693 0.027 -1.149) 2.046 9.651 ( 11.452 -2.093 -9.643) 15.117 10.802 ( -18.786 7.267 -12.139) 23.518 11.137 ( -10.041 0.533 -0.270) 10.059 11.400 ( -7.150 -10.411 -14.731) 19.404 12.792 ( 8.382 -2.045 1.403) 8.741 13.119 ( -1.882 -2.265 2.695) 3.992 14.222 ( 7.185 3.056 3.605) 8.600 14.333 ( 5.052 2.879 2.778) 6.444 20.153 ( 10.703 0.364 3.345) 11.220 20.282 ( 13.541 0.229 0.899) 13.573 20.985 ( -5.599 -2.579 8.887) 10.816 21.161 ( -6.578 -2.451 10.818) 12.896 21.589 ( -2.004 -0.855 -10.481) 10.706 21.870 ( -2.433 1.047 -0.633) 2.723 22.274 ( 2.061 -0.100 0.357) 2.094 22.323 ( 0.098 0.142 1.123) 1.136 ======================= Grid point 352 (140/171) ======================= q-point: (-0.10 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 3.358 -0.514 -0.474) 3.430 1.186 ( 7.482 -1.482 -1.420) 7.758 1.310 ( 0.462 0.906 1.573) 1.873 1.681 ( -0.505 0.698 4.642) 4.721 1.760 ( -0.302 -0.410 -1.746) 1.819 1.822 ( -1.674 -0.289 1.133) 2.042 2.062 ( 3.282 2.676 5.420) 6.878 2.098 ( 3.659 -0.230 -1.440) 3.939 2.391 ( 13.632 -0.653 10.775) 17.389 2.706 ( 10.840 -0.140 -0.649) 10.860 3.279 ( 7.335 -0.225 8.054) 10.896 3.388 ( 12.333 -0.162 -1.676) 12.447 3.511 ( 7.512 -0.506 -13.648) 15.587 3.724 ( -2.472 0.702 6.268) 6.774 3.952 ( 3.477 1.734 -3.844) 5.466 4.168 ( -6.525 0.043 5.807) 8.735 4.240 ( -8.722 1.062 -1.087) 8.854 4.465 ( -0.703 1.027 -4.954) 5.108 5.437 ( 6.729 0.302 4.017) 7.842 5.575 ( -3.953 3.819 0.842) 5.560 6.367 ( 2.813 -5.204 -1.392) 6.077 7.179 ( -3.192 0.436 -2.045) 3.816 7.264 ( -10.199 0.185 8.576) 13.327 7.445 ( -10.697 0.300 -10.049) 14.680 8.393 ( 1.231 1.480 2.389) 3.068 8.480 ( 2.543 1.780 -0.529) 3.148 9.470 ( 3.414 -1.550 -2.050) 4.273 11.096 ( -17.713 8.173 -1.824) 19.593 11.272 ( -10.499 -2.584 -4.281) 11.628 11.357 ( -12.525 -7.420 -8.079) 16.649 12.645 ( 9.880 -1.098 0.337) 9.947 13.147 ( -1.054 -0.835 1.851) 2.287 14.144 ( 8.785 1.307 1.788) 9.060 14.263 ( 8.752 1.207 1.188) 8.915 20.037 ( 7.683 0.269 2.037) 7.953 20.102 ( 9.789 -0.022 -0.800) 9.821 21.040 ( 8.146 -0.470 9.086) 12.212 21.328 ( -8.722 -1.320 5.081) 10.180 21.574 ( -8.809 0.326 -9.394) 12.882 21.888 ( 0.501 0.113 -0.407) 0.656 22.231 ( 3.134 -0.313 -0.361) 3.170 22.325 ( 0.619 0.071 0.362) 0.720 ======================= Grid point 360 (141/171) ======================= q-point: ( 0.70 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.000 5.974 7.534) 9.615 1.339 ( -0.000 10.087 3.045) 10.537 1.390 ( -0.000 -2.643 -2.341) 3.531 1.452 ( 0.000 -1.800 -3.088) 3.574 1.768 ( -0.000 -3.897 2.828) 4.815 1.836 ( 0.000 0.669 -1.595) 1.729 2.023 ( 0.000 3.174 2.958) 4.339 2.199 ( 0.000 -1.656 -4.023) 4.350 2.746 ( -0.000 4.209 15.080) 15.657 2.796 ( -0.000 1.438 17.846) 17.903 3.450 ( 0.000 0.764 15.272) 15.291 3.487 ( -0.000 2.257 24.051) 24.156 3.673 ( -0.000 6.589 -3.974) 7.695 3.727 ( 0.000 1.109 -1.714) 2.042 3.838 ( 0.000 2.258 -11.779) 11.994 3.914 ( 0.000 -2.925 -4.717) 5.551 4.207 ( 0.000 4.302 -0.891) 4.393 4.308 ( -0.000 0.990 -6.488) 6.563 5.241 ( 0.000 7.305 10.416) 12.722 5.524 ( -0.000 0.986 -5.282) 5.373 6.763 ( -0.000 -2.598 -0.810) 2.722 6.857 ( 0.000 -4.025 -9.801) 10.595 7.097 ( 0.000 2.352 -1.534) 2.808 7.321 ( -0.000 -3.803 -9.605) 10.330 8.261 ( 0.000 6.974 9.737) 11.977 8.533 ( 0.000 1.278 -4.964) 5.126 10.094 ( -0.000 2.109 -12.983) 13.153 10.179 ( -0.000 0.947 -16.181) 16.209 10.958 ( 0.000 0.432 10.139) 10.148 11.487 ( 0.000 -10.054 -18.427) 20.992 13.027 ( 0.000 -4.285 4.665) 6.334 13.120 ( 0.000 -6.055 -0.130) 6.057 14.272 ( -0.000 6.484 3.788) 7.509 14.290 ( -0.000 6.940 2.207) 7.282 20.472 ( -0.000 1.885 4.048) 4.466 20.500 ( 0.000 1.379 2.207) 2.602 20.910 ( -0.000 -5.237 7.903) 9.481 21.029 ( 0.000 -9.735 4.159) 10.587 21.646 ( 0.000 2.599 -0.527) 2.652 21.758 ( -0.000 0.057 -5.351) 5.352 22.309 ( 0.000 -0.138 2.519) 2.523 22.328 ( -0.000 -1.008 1.679) 1.959 ======================= Grid point 361 (142/171) ======================= q-point: ( 0.80 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 3.976 2.242 2.199) 5.067 1.352 ( 2.555 -0.680 2.068) 3.357 1.398 ( 3.063 -0.295 -2.321) 3.854 1.486 ( -5.865 7.639 0.546) 9.646 1.766 ( -1.069 -3.636 2.738) 4.676 1.810 ( 0.009 -1.876 -2.333) 2.994 2.076 ( 1.458 3.837 4.476) 6.073 2.156 ( 0.731 0.637 -3.720) 3.844 2.787 ( 10.417 1.000 9.805) 14.341 2.940 ( 2.667 2.553 11.014) 11.616 3.491 ( 5.996 1.265 1.829) 6.395 3.639 ( 0.655 1.747 4.546) 4.914 3.662 ( 4.643 2.119 1.290) 5.264 3.692 ( 2.554 -1.303 -4.136) 5.032 3.851 ( -4.549 4.960 3.928) 7.793 3.936 ( -8.136 -0.062 -3.626) 8.907 4.157 ( 5.628 0.935 -0.473) 5.725 4.351 ( -4.586 3.165 -2.604) 6.151 5.374 ( -0.386 5.711 5.113) 7.675 5.503 ( -1.592 1.408 -3.381) 3.993 6.623 ( 5.992 -5.683 -2.501) 8.629 6.912 ( -11.925 -0.384 -1.623) 12.041 7.116 ( -0.269 0.788 1.606) 1.809 7.233 ( -2.828 -2.148 -8.816) 9.504 8.386 ( 1.219 4.965 7.543) 9.112 8.497 ( 1.182 2.180 -4.506) 5.144 9.798 ( 14.777 -1.065 -6.241) 16.077 10.352 ( -19.627 5.163 -7.774) 21.733 11.072 ( -4.833 -2.601 9.080) 10.610 11.282 ( -3.784 -8.576 -14.846) 17.557 12.948 ( 6.961 -3.642 1.379) 7.976 13.119 ( -3.662 -3.782 0.762) 5.319 14.300 ( 4.916 5.002 1.675) 7.210 14.363 ( 1.240 4.782 1.348) 5.121 20.355 ( 12.720 0.796 2.022) 12.904 20.491 ( 11.466 1.986 1.093) 11.688 20.933 ( -8.675 -7.180 3.355) 11.750 21.133 ( -12.843 -4.710 5.098) 14.598 21.576 ( 7.792 0.935 -3.772) 8.707 21.794 ( -4.847 1.859 -1.082) 5.303 22.310 ( 1.391 -0.584 0.878) 1.745 22.333 ( -0.108 -0.337 0.837) 0.909 ======================= Grid point 362 (143/171) ======================= q-point: ( 0.90 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 3.580 -1.007 0.000) 3.719 1.297 ( 5.053 -2.127 0.000) 5.483 1.335 ( 4.233 2.669 -0.000) 5.004 1.637 ( -4.480 5.246 -0.000) 6.899 1.762 ( -0.839 -3.709 0.000) 3.803 1.794 ( -2.025 -1.161 0.000) 2.334 2.116 ( 2.037 3.183 -0.000) 3.780 2.118 ( 2.484 1.471 -0.000) 2.887 2.648 ( 12.986 -0.707 0.000) 13.005 2.890 ( 11.070 0.404 0.000) 11.077 3.444 ( 4.791 0.799 -0.000) 4.857 3.497 ( 8.747 1.419 -0.000) 8.861 3.577 ( 7.405 -2.846 0.000) 7.933 3.722 ( -0.462 1.839 -0.000) 1.897 3.965 ( 2.050 5.827 -0.000) 6.177 4.068 ( -10.717 1.165 -0.000) 10.780 4.115 ( -2.291 -1.378 0.000) 2.673 4.415 ( -1.843 2.319 -0.000) 2.963 5.469 ( -3.081 5.599 -0.000) 6.390 5.515 ( 1.300 0.781 -0.000) 1.516 6.475 ( 3.994 -7.356 0.000) 8.370 7.100 ( -7.321 1.970 -0.000) 7.581 7.171 ( -9.471 -1.594 0.000) 9.604 7.230 ( -4.800 0.305 -0.000) 4.810 8.422 ( 2.357 1.758 -0.000) 2.940 8.482 ( 1.831 3.912 -0.000) 4.319 9.571 ( 9.289 -2.122 0.000) 9.529 10.692 ( -21.004 7.641 -0.000) 22.351 11.196 ( -5.974 -5.028 0.000) 7.808 11.208 ( -9.436 -6.376 0.000) 11.388 12.805 ( 8.646 -2.410 0.000) 8.976 13.142 ( -2.338 -2.170 0.000) 3.190 14.253 ( 7.129 3.118 -0.000) 7.781 14.356 ( 5.107 2.873 -0.000) 5.860 20.184 ( 11.126 0.581 0.000) 11.141 20.290 ( 14.296 0.145 0.000) 14.297 21.061 ( -10.226 -3.820 0.000) 10.917 21.343 ( -13.513 -1.863 -0.000) 13.641 21.410 ( 9.598 0.187 0.000) 9.600 21.864 ( -2.465 1.320 -0.000) 2.796 22.278 ( 2.474 -0.533 0.000) 2.531 22.334 ( 0.247 -0.053 0.000) 0.253 ======================= Grid point 372 (144/171) ======================= q-point: (-0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 5.373 -4.989) 7.332 1.304 ( 0.000 5.373 4.989) 7.332 1.404 ( -0.000 -0.069 -2.477) 2.478 1.404 ( 0.000 -0.069 2.477) 2.478 1.804 ( -0.000 -0.799 -1.878) 2.041 1.804 ( 0.000 -0.799 1.878) 2.041 2.108 ( -0.000 0.798 -5.918) 5.972 2.108 ( 0.000 0.798 5.918) 5.972 2.935 ( -0.000 3.147 -3.363) 4.606 2.935 ( 0.000 3.147 3.363) 4.606 3.566 ( -0.000 3.199 -6.771) 7.489 3.566 ( 0.000 3.199 6.771) 7.489 3.712 ( -0.000 1.584 -2.497) 2.957 3.712 ( 0.000 1.584 2.497) 2.957 3.829 ( -0.000 0.597 -6.908) 6.934 3.829 ( 0.000 0.597 6.908) 6.934 4.230 ( -0.000 2.255 -2.459) 3.336 4.230 ( 0.000 2.255 2.459) 3.336 5.397 ( -0.000 3.900 -8.205) 9.085 5.397 ( 0.000 3.900 8.205) 9.085 6.752 ( 0.000 -2.092 -0.976) 2.309 6.752 ( 0.000 -2.092 0.976) 2.309 7.165 ( -0.000 -2.019 -7.766) 8.024 7.165 ( 0.000 -2.019 7.766) 8.024 8.421 ( -0.000 4.289 -8.136) 9.197 8.421 ( 0.000 4.289 8.136) 9.197 10.006 ( 0.000 1.991 -1.389) 2.428 10.006 ( 0.000 1.991 1.389) 2.428 11.188 ( -0.000 -6.139 -15.930) 17.072 11.188 ( 0.000 -6.139 15.930) 17.072 13.093 ( -0.000 -5.380 -2.368) 5.878 13.093 ( -0.000 -5.380 2.368) 5.878 14.306 ( 0.000 6.700 -0.187) 6.703 14.306 ( 0.000 6.700 0.187) 6.703 20.514 ( 0.000 2.015 -0.251) 2.031 20.514 ( 0.000 2.015 0.251) 2.031 21.024 ( -0.000 -7.878 -3.663) 8.688 21.024 ( 0.000 -7.878 3.663) 8.688 21.673 ( -0.000 2.198 -3.188) 3.872 21.673 ( 0.000 2.198 3.188) 3.872 22.338 ( -0.000 -1.043 -0.578) 1.193 22.338 ( 0.000 -1.043 0.578) 1.193 ======================= Grid point 390 (145/171) ======================= q-point: ( 0.40 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -2.763 -0.000 -3.876) 4.760 1.097 ( -6.201 -0.000 -7.982) 10.108 1.435 ( 4.937 -0.000 5.605) 7.469 1.502 ( -0.815 -0.000 5.065) 5.130 1.626 ( 3.618 -0.000 8.990) 9.691 1.727 ( -13.749 -0.000 14.253) 19.804 1.799 ( -0.748 -0.000 1.986) 2.123 1.986 ( -0.898 -0.000 -5.287) 5.363 2.094 ( -2.835 -0.000 -6.679) 7.255 2.291 ( -2.918 -0.000 -2.275) 3.700 2.913 ( -14.909 -0.000 -14.599) 20.867 2.927 ( -11.546 0.000 -13.298) 17.611 3.853 ( 8.356 -0.000 11.919) 14.556 3.959 ( 12.828 0.000 12.089) 17.627 4.007 ( 1.666 -0.000 3.821) 4.169 4.207 ( 0.085 -0.000 -4.909) 4.909 4.325 ( -1.729 -0.000 -5.257) 5.533 4.391 ( 9.253 -0.000 -11.160) 14.497 5.099 ( -6.545 0.000 -2.128) 6.882 5.104 ( -6.593 -0.000 -5.289) 8.452 6.878 ( -0.309 0.000 15.021) 15.024 7.303 ( -3.704 -0.000 -6.696) 7.652 7.411 ( 4.759 -0.000 6.615) 8.149 7.621 ( 3.617 -0.000 -3.207) 4.834 8.165 ( 1.450 -0.000 -0.026) 1.450 8.287 ( 6.164 -0.000 -3.282) 6.983 10.276 ( 13.870 -0.000 22.247) 26.216 10.894 ( 12.561 -0.000 -12.025) 17.389 12.108 ( 10.497 -0.000 6.301) 12.243 12.469 ( 2.465 -0.000 -8.913) 9.248 12.647 ( -7.191 -0.000 11.529) 13.587 12.887 ( -10.245 -0.000 5.417) 11.589 13.714 ( 1.600 -0.000 -3.400) 3.757 13.839 ( 1.631 -0.000 -7.754) 7.924 19.907 ( 5.210 -0.000 3.895) 6.505 20.119 ( 8.199 -0.000 -8.455) 11.777 20.395 ( -11.303 -0.000 12.703) 17.004 20.918 ( -14.594 -0.000 -15.471) 21.268 21.935 ( -0.142 -0.000 0.754) 0.767 21.939 ( -3.884 0.000 0.059) 3.884 22.301 ( -0.400 -0.000 0.528) 0.663 22.327 ( 0.010 -0.000 0.110) 0.111 ======================= Grid point 402 (146/171) ======================= q-point: ( 0.40 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.934 1.080 -2.017) 2.472 0.948 ( -3.863 -0.601 -8.068) 8.965 1.536 ( 0.123 -0.012 4.031) 4.033 1.539 ( 2.269 -0.066 3.733) 4.369 1.615 ( -13.102 0.820 10.006) 16.506 1.710 ( -2.635 -0.822 3.977) 4.841 1.793 ( -1.047 2.055 3.645) 4.313 1.928 ( -0.782 0.662 -7.070) 7.144 1.983 ( -4.399 0.645 -2.583) 5.141 2.140 ( -8.310 -0.676 -15.267) 17.395 2.600 ( -11.129 1.758 -2.858) 11.623 2.679 ( -9.659 -1.487 -7.500) 12.319 4.025 ( 5.354 5.355 5.773) 9.522 4.083 ( 2.373 -0.214 6.452) 6.878 4.157 ( 1.561 1.433 -1.901) 2.847 4.234 ( 3.404 -3.870 0.936) 5.238 4.297 ( 6.680 -1.000 2.496) 7.201 4.461 ( 10.241 -0.818 -8.359) 13.244 4.903 ( -8.460 5.684 -2.712) 10.547 5.027 ( -6.510 -7.427 -3.226) 10.390 6.968 ( -0.335 6.153 9.857) 11.624 7.212 ( -1.730 -4.297 -5.721) 7.361 7.513 ( 1.429 -0.231 5.078) 5.280 7.606 ( -1.041 -1.151 -4.451) 4.714 8.232 ( 5.555 3.960 3.682) 7.752 8.368 ( 5.502 -4.561 -2.501) 7.572 10.628 ( 15.909 13.704 14.483) 25.508 11.073 ( 15.018 -13.191 -5.053) 20.618 12.252 ( -1.655 4.873 6.613) 8.380 12.416 ( -3.294 -4.573 2.014) 5.985 12.677 ( 2.083 1.283 4.509) 5.129 12.780 ( -4.754 0.035 -1.815) 5.089 13.718 ( 2.290 0.846 -1.572) 2.904 13.790 ( 1.783 0.573 -8.321) 8.529 20.057 ( 7.797 0.247 6.185) 9.956 20.186 ( 9.698 -0.261 -8.058) 12.612 20.331 ( -9.407 0.690 10.088) 13.811 20.575 ( -14.308 -2.913 -14.342) 20.467 21.863 ( -6.484 0.471 0.390) 6.513 21.894 ( -4.597 -1.016 -1.037) 4.821 22.306 ( 0.784 1.481 0.932) 1.917 22.328 ( 0.505 0.622 -0.227) 0.833 ======================= Grid point 403 (147/171) ======================= q-point: ( 0.50 -0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -6.949 -1.092 0.000) 7.035 0.959 ( -6.949 1.092 0.000) 7.035 1.507 ( 3.757 -0.014 -0.000) 3.757 1.507 ( 3.757 0.014 0.000) 3.757 1.818 ( -5.391 -0.947 0.000) 5.473 1.818 ( -5.391 0.947 0.000) 5.473 1.861 ( 0.102 -0.030 -0.000) 0.106 1.861 ( 0.102 0.030 0.000) 0.106 2.154 ( -10.028 -0.814 0.000) 10.061 2.154 ( -10.028 0.814 0.000) 10.061 2.785 ( -12.212 -1.995 -0.000) 12.374 2.785 ( -12.212 1.995 -0.000) 12.374 4.003 ( 6.657 -1.640 -0.000) 6.856 4.003 ( 6.657 1.640 0.000) 6.856 4.184 ( 10.250 -1.305 -0.000) 10.332 4.184 ( 10.250 1.305 0.000) 10.332 4.208 ( -0.082 -0.300 -0.000) 0.311 4.208 ( -0.082 0.300 0.000) 0.311 5.070 ( -7.839 -4.530 0.000) 9.054 5.070 ( -7.839 4.530 -0.000) 9.054 7.125 ( -1.786 -2.891 -0.000) 3.398 7.125 ( -1.786 2.891 0.000) 3.398 7.532 ( 3.318 -0.239 -0.000) 3.327 7.532 ( 3.318 0.239 0.000) 3.327 8.215 ( 5.262 -2.971 0.000) 6.043 8.215 ( 5.262 2.971 0.000) 6.043 10.632 ( 15.333 -9.601 0.000) 18.091 10.632 ( 15.333 9.601 0.000) 18.091 12.257 ( 10.464 -0.360 -0.000) 10.470 12.257 ( 10.464 0.360 0.000) 10.470 12.861 ( -10.597 -2.293 -0.000) 10.842 12.861 ( -10.597 2.293 0.000) 10.842 13.724 ( -0.292 -0.042 -0.000) 0.295 13.724 ( -0.292 0.042 0.000) 0.295 19.995 ( 6.501 -0.055 -0.000) 6.501 19.995 ( 6.501 0.055 0.000) 6.501 20.644 ( -14.100 -1.219 -0.000) 14.152 20.644 ( -14.100 1.219 0.000) 14.152 21.940 ( -2.471 -0.297 -0.000) 2.489 21.940 ( -2.471 0.297 -0.000) 2.489 22.317 ( 0.026 -0.354 -0.000) 0.355 22.317 ( 0.026 0.354 0.000) 0.355 ======================= Grid point 413 (148/171) ======================= q-point: ( 0.40 -0.10 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -2.470 3.572 -0.000) 4.343 0.871 ( -1.724 0.733 -0.000) 1.873 1.464 ( -12.517 2.497 -0.000) 12.764 1.501 ( -6.416 -1.033 0.000) 6.499 1.592 ( 1.652 -1.099 0.000) 1.984 1.666 ( -2.870 -4.131 0.000) 5.030 1.773 ( -3.790 7.413 -0.000) 8.325 1.833 ( -1.292 0.379 -0.000) 1.346 1.880 ( -7.583 2.406 -0.000) 7.955 1.967 ( -0.550 0.667 -0.000) 0.864 2.492 ( -3.536 -0.674 0.000) 3.599 2.535 ( -7.205 -1.766 0.000) 7.418 3.986 ( -1.139 7.900 -0.000) 7.982 4.165 ( 1.724 -1.983 0.000) 2.628 4.192 ( 2.903 -1.135 0.000) 3.117 4.306 ( 2.354 -6.256 0.000) 6.685 4.439 ( 8.004 5.176 -0.000) 9.532 4.578 ( 6.804 -0.221 0.000) 6.808 4.722 ( -5.851 3.969 -0.000) 7.070 5.001 ( -4.723 -9.228 0.000) 10.366 6.909 ( -0.477 10.670 -0.000) 10.680 7.244 ( -0.143 -7.133 0.000) 7.134 7.548 ( -0.128 -0.029 0.000) 0.132 7.549 ( -4.069 -0.068 -0.000) 4.069 8.288 ( 4.868 4.167 -0.000) 6.408 8.490 ( 4.494 -5.811 0.000) 7.346 10.745 ( 14.089 19.462 -0.000) 24.026 11.467 ( 16.241 -17.814 0.000) 24.106 12.078 ( -11.485 8.669 -0.000) 14.389 12.441 ( -10.792 -10.525 0.000) 15.075 12.695 ( 3.842 3.740 -0.000) 5.362 12.802 ( 5.558 -1.526 0.000) 5.764 13.751 ( 5.150 2.506 -0.000) 5.728 13.759 ( 1.364 1.846 -0.000) 2.295 20.125 ( -4.611 2.714 -0.000) 5.350 20.287 ( -0.318 -5.537 0.000) 5.546 20.319 ( 5.132 1.347 -0.000) 5.306 20.360 ( -1.292 -1.561 0.000) 2.027 21.739 ( -8.245 1.450 -0.000) 8.372 21.826 ( -5.741 -2.990 0.000) 6.473 22.307 ( 1.191 2.371 -0.000) 2.654 22.324 ( 0.311 1.613 -0.000) 1.643 ======================= Grid point 424 (149/171) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 0.000 8.169 -0.000) 8.169 0.854 ( 0.000 5.180 -0.000) 5.180 1.178 ( -0.000 -0.777 0.000) 0.777 1.389 ( -0.000 -7.989 0.000) 7.989 1.622 ( -0.000 -1.472 0.000) 1.472 1.631 ( -0.000 -2.117 0.000) 2.117 1.713 ( 0.000 13.748 -0.000) 13.748 1.782 ( 0.000 2.251 -0.000) 2.251 1.806 ( 0.000 0.250 -0.000) 0.250 1.976 ( -0.000 -0.848 0.000) 0.848 2.416 ( -0.000 -0.569 0.000) 0.569 2.444 ( -0.000 -2.630 0.000) 2.630 3.945 ( 0.000 5.046 -0.000) 5.046 4.182 ( -0.000 -6.915 0.000) 6.915 4.230 ( 0.000 1.561 -0.000) 1.561 4.356 ( -0.000 -4.684 0.000) 4.684 4.565 ( 0.000 9.032 -0.000) 9.032 4.580 ( 0.000 6.798 -0.000) 6.798 4.750 ( -0.000 -2.096 0.000) 2.096 4.932 ( -0.000 -10.325 0.000) 10.325 6.911 ( 0.000 10.751 -0.000) 10.751 7.243 ( -0.000 -6.964 0.000) 6.964 7.459 ( 0.000 4.285 -0.000) 4.285 7.542 ( -0.000 -0.860 0.000) 0.860 8.368 ( 0.000 3.556 -0.000) 3.556 8.560 ( -0.000 -5.800 0.000) 5.800 11.024 ( 0.000 22.070 -0.000) 22.070 11.829 ( 0.000 7.287 -0.000) 7.287 11.866 ( -0.000 -21.893 0.000) 21.893 12.089 ( -0.000 -5.883 0.000) 5.883 12.789 ( 0.000 2.037 -0.000) 2.037 12.880 ( -0.000 -2.453 0.000) 2.453 13.788 ( 0.000 3.760 -0.000) 3.760 13.879 ( -0.000 -1.440 0.000) 1.440 20.005 ( 0.000 2.051 -0.000) 2.051 20.092 ( -0.000 -2.377 0.000) 2.377 20.476 ( 0.000 1.940 -0.000) 1.940 20.551 ( -0.000 -2.065 0.000) 2.065 21.570 ( 0.000 2.926 -0.000) 2.926 21.707 ( -0.000 -4.229 0.000) 4.229 22.328 ( 0.000 1.861 -0.000) 1.861 22.328 ( 0.000 1.821 -0.000) 1.821 ======================= Grid point 425 (150/171) ======================= q-point: ( 0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.667 4.681 10.557) 11.567 0.905 ( 0.358 0.951 6.837) 6.912 1.274 ( -5.421 -1.035 0.327) 5.529 1.404 ( -7.598 -2.456 6.597) 10.357 1.602 ( 0.755 -0.365 -1.055) 1.348 1.626 ( -1.826 -1.611 2.474) 3.471 1.793 ( 1.288 1.736 0.440) 2.206 1.854 ( -2.466 4.924 5.924) 8.088 1.874 ( -3.388 2.832 6.315) 7.705 1.967 ( -1.049 -2.278 3.407) 4.230 2.419 ( -1.627 -0.876 -2.329) 2.973 2.466 ( -4.242 -0.766 3.640) 5.642 4.010 ( -1.813 5.396 -1.092) 5.797 4.126 ( -1.457 -4.740 -0.404) 4.975 4.219 ( 2.402 1.389 -3.560) 4.513 4.289 ( 1.682 -4.109 -1.669) 4.743 4.556 ( 5.134 4.791 -6.541) 9.596 4.684 ( 3.200 -1.500 1.106) 3.704 4.722 ( -2.227 7.323 5.936) 9.686 4.889 ( -1.881 -9.149 7.096) 11.730 6.989 ( 1.237 8.757 -3.614) 9.553 7.170 ( -1.010 -6.886 -0.524) 6.979 7.510 ( -1.307 1.515 -0.229) 2.014 7.539 ( -1.393 -0.401 0.226) 1.467 8.376 ( 2.861 4.612 -2.338) 5.910 8.486 ( 1.969 -5.620 -0.426) 5.970 11.100 ( 12.924 18.699 -8.331) 24.209 11.501 ( 11.348 -15.898 -5.411) 20.268 11.948 ( -9.769 6.156 -9.633) 15.038 12.108 ( -12.715 -8.134 -9.664) 17.923 12.790 ( 2.850 2.552 0.828) 3.915 12.840 ( 2.312 -2.640 0.574) 3.556 13.828 ( 3.020 1.914 5.648) 6.684 13.874 ( 2.753 -0.298 8.588) 9.024 20.048 ( -2.123 0.965 -1.775) 2.931 20.169 ( -8.917 -1.797 8.887) 12.718 20.428 ( 8.131 0.654 -1.551) 8.303 20.493 ( 5.818 -0.639 4.368) 7.304 21.651 ( -5.475 2.577 0.778) 6.101 21.716 ( -4.979 -3.361 1.687) 6.239 22.332 ( 0.615 1.017 -0.867) 1.471 22.339 ( 0.137 0.944 -0.319) 1.006 ======================= Grid point 426 (151/171) ======================= q-point: ( 0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 2.836 0.000 11.462) 11.808 0.996 ( -0.608 0.000 10.227) 10.245 1.342 ( -7.726 -0.000 -3.584) 8.517 1.466 ( -1.188 -0.000 -5.346) 5.477 1.561 ( 2.368 -0.000 -2.894) 3.739 1.706 ( -0.021 0.000 3.700) 3.700 1.789 ( 0.714 0.000 1.006) 1.234 1.943 ( -1.660 0.000 2.790) 3.247 2.000 ( -3.438 0.000 10.451) 11.002 2.169 ( -7.444 0.000 19.676) 21.037 2.462 ( -9.576 0.000 1.196) 9.651 2.618 ( -8.417 0.000 10.353) 13.343 4.024 ( -0.542 -0.000 -4.845) 4.875 4.080 ( 6.198 -0.000 -9.098) 11.009 4.188 ( -3.796 0.000 1.342) 4.027 4.234 ( 1.588 0.000 0.451) 1.651 4.378 ( 10.109 -0.000 -9.268) 13.715 4.640 ( 4.931 0.000 3.851) 6.256 4.895 ( -4.711 0.000 7.267) 8.661 4.944 ( -3.344 0.000 10.818) 11.323 6.921 ( 3.173 -0.000 -11.085) 11.530 7.196 ( -3.611 0.000 2.996) 4.692 7.498 ( 1.170 -0.000 -2.908) 3.135 7.590 ( -3.549 0.000 1.311) 3.783 8.303 ( 5.677 -0.000 -4.037) 6.966 8.425 ( 2.532 0.000 1.020) 2.730 10.776 ( 18.266 -0.000 -24.174) 30.299 11.264 ( 11.286 0.000 3.798) 11.908 12.061 ( -17.116 -0.000 -20.748) 26.897 12.137 ( -8.905 -0.000 -11.782) 14.769 12.764 ( 2.456 -0.000 -1.307) 2.782 12.792 ( 4.712 0.000 5.785) 7.461 13.827 ( 5.308 0.000 8.453) 9.981 13.927 ( 3.357 0.000 12.085) 12.543 20.052 ( -1.018 -0.000 -4.839) 4.945 20.270 ( 8.099 -0.000 -2.380) 8.442 20.387 ( 1.896 0.000 10.950) 11.113 20.495 ( -6.894 0.000 12.118) 13.942 21.758 ( -6.734 -0.000 -0.261) 6.739 21.818 ( -6.368 0.000 2.846) 6.975 22.316 ( 0.889 -0.000 -1.192) 1.487 22.336 ( 0.258 -0.000 -0.694) 0.740 ======================= Grid point 436 (152/171) ======================= q-point: ( 0.50 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 0.000 7.025 6.566) 9.615 0.967 ( 0.000 4.170 20.295) 20.719 1.367 ( 0.000 -2.680 16.831) 17.043 1.429 ( 0.000 -4.822 3.260) 5.820 1.601 ( -0.000 0.174 -1.590) 1.599 1.633 ( 0.000 -2.171 1.926) 2.902 1.814 ( 0.000 9.179 14.092) 16.818 1.866 ( 0.000 1.744 9.407) 9.568 1.873 ( 0.000 0.616 6.885) 6.912 2.000 ( 0.000 -0.237 3.401) 3.409 2.414 ( 0.000 0.306 0.411) 0.512 2.462 ( 0.000 -2.618 2.798) 3.832 3.944 ( 0.000 4.972 -0.183) 4.976 4.143 ( -0.000 -2.933 -4.745) 5.578 4.193 ( -0.000 -0.797 -3.728) 3.812 4.301 ( -0.000 -4.101 -6.508) 7.693 4.490 ( -0.000 6.892 -3.290) 7.637 4.693 ( -0.000 -2.983 -5.305) 6.086 4.727 ( 0.000 8.454 11.454) 14.236 5.047 ( 0.000 -9.042 11.393) 14.545 6.893 ( 0.000 9.668 -2.088) 9.891 7.191 ( -0.000 -5.979 -5.276) 7.973 7.488 ( 0.000 2.255 2.226) 3.168 7.521 ( -0.000 -0.063 -2.685) 2.685 8.331 ( -0.000 4.403 -3.806) 5.820 8.546 ( -0.000 -6.132 -1.329) 6.274 10.978 ( 0.000 19.335 -5.483) 20.098 11.473 ( -0.000 -0.837 -27.226) 27.239 11.835 ( -0.000 -2.091 -25.661) 25.746 11.954 ( -0.000 -14.310 -2.304) 14.494 12.805 ( 0.000 1.612 1.928) 2.513 12.888 ( 0.000 -2.549 1.642) 3.032 13.899 ( 0.000 4.135 11.058) 11.805 13.995 ( 0.000 -1.042 10.972) 11.022 20.100 ( 0.000 -0.181 10.047) 10.048 20.140 ( 0.000 -1.651 5.307) 5.558 20.503 ( 0.000 1.441 3.232) 3.539 20.569 ( 0.000 -2.057 2.120) 2.954 21.598 ( 0.000 2.606 2.934) 3.925 21.730 ( 0.000 -4.181 2.377) 4.810 22.317 ( -0.000 1.868 -1.183) 2.211 22.319 ( -0.000 1.782 -0.910) 2.001 ======================= Grid point 437 (153/171) ======================= q-point: ( 0.60 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.945 6.044 7.980) 10.055 1.116 ( 1.411 -1.491 13.253) 13.411 1.385 ( 4.346 -1.316 9.531) 10.557 1.447 ( 0.759 -1.886 0.938) 2.238 1.570 ( 2.446 0.062 -1.841) 3.062 1.716 ( -3.625 0.330 5.044) 6.220 1.869 ( 5.744 1.461 8.144) 10.072 1.967 ( 1.209 -0.826 5.014) 5.224 2.031 ( -3.983 1.413 12.139) 12.853 2.216 ( -14.800 1.675 26.350) 30.269 2.384 ( 2.598 -0.570 -0.949) 2.825 2.586 ( -8.602 -0.117 12.047) 14.803 3.982 ( 0.416 3.052 -1.936) 3.638 4.076 ( 3.651 1.253 -8.347) 9.196 4.128 ( -1.654 -1.951 -3.942) 4.699 4.229 ( -2.424 -3.033 -4.999) 6.330 4.439 ( 8.432 2.529 -7.122) 11.323 4.649 ( -2.705 -0.723 -3.224) 4.270 4.913 ( 0.213 7.984 13.723) 15.877 5.080 ( -0.614 -8.048 13.808) 15.994 6.888 ( 5.523 4.481 -7.377) 10.247 7.140 ( -5.231 -3.149 -3.360) 6.969 7.489 ( 0.688 0.468 -2.858) 2.977 7.532 ( -3.166 -0.034 -1.658) 3.574 8.323 ( 3.469 5.161 -2.728) 6.791 8.471 ( 0.561 -5.533 -0.980) 5.647 10.819 ( 19.216 6.570 -22.977) 30.665 11.361 ( -3.193 2.073 -10.159) 10.848 11.608 ( -7.155 0.383 -26.432) 27.386 11.887 ( -10.940 -7.951 -14.750) 20.011 12.808 ( 3.631 1.065 1.264) 3.990 12.884 ( 0.482 -1.771 4.464) 4.826 13.993 ( 4.931 1.868 11.519) 12.669 14.074 ( 1.755 0.208 12.377) 12.502 20.071 ( 5.085 -0.175 4.354) 6.697 20.357 ( -10.304 0.046 10.719) 14.869 20.428 ( 8.317 -1.662 2.654) 8.887 20.597 ( 1.539 -0.228 7.575) 7.733 21.675 ( -3.616 1.318 1.710) 4.212 21.762 ( -5.177 -2.268 3.153) 6.472 22.313 ( 0.647 0.986 -1.131) 1.634 22.324 ( -0.022 0.891 -1.288) 1.566 ======================= Grid point 438 (154/171) ======================= q-point: ( 0.70 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 0.799 0.000 4.906) 4.971 1.157 ( 1.702 0.000 8.240) 8.413 1.411 ( 1.755 0.000 1.322) 2.198 1.432 ( 2.163 0.000 10.029) 10.260 1.498 ( 4.189 -0.000 -2.445) 4.850 1.770 ( 0.298 0.000 2.796) 2.812 1.843 ( 7.718 0.000 7.647) 10.865 1.987 ( -0.992 0.000 1.282) 1.621 2.201 ( -2.796 0.000 13.726) 14.008 2.320 ( 3.281 -0.000 -0.903) 3.403 2.743 ( -18.065 0.000 27.930) 33.264 2.879 ( -10.462 0.000 19.574) 22.195 3.871 ( 8.125 -0.000 -14.585) 16.695 3.957 ( 0.685 -0.000 -2.751) 2.835 4.173 ( 3.343 -0.000 -3.282) 4.684 4.217 ( 4.008 -0.000 -9.328) 10.153 4.220 ( -3.100 -0.000 -1.854) 3.612 4.658 ( -0.600 -0.000 -1.607) 1.716 5.069 ( 0.110 0.000 12.060) 12.061 5.182 ( -1.976 0.000 15.336) 15.463 6.727 ( 5.917 -0.000 -10.987) 12.479 7.184 ( -5.003 -0.000 -4.277) 6.582 7.438 ( 2.208 -0.000 -4.538) 5.046 7.580 ( -5.842 -0.000 -2.482) 6.347 8.275 ( 4.530 0.000 1.198) 4.686 8.430 ( 1.003 0.000 0.228) 1.028 10.325 ( 17.979 -0.000 -26.776) 32.252 11.268 ( 7.057 -0.000 -2.743) 7.571 11.635 ( -21.619 -0.000 -26.087) 33.881 11.875 ( -10.942 -0.000 -17.948) 21.021 12.744 ( 5.321 -0.000 -0.326) 5.331 12.915 ( 1.544 0.000 7.371) 7.531 14.001 ( 6.934 0.000 10.301) 12.418 14.132 ( 4.421 0.000 10.762) 11.635 20.026 ( 4.493 0.000 1.483) 4.732 20.252 ( 10.212 0.000 0.091) 10.212 20.573 ( 4.246 0.000 11.249) 12.023 20.726 ( -12.311 0.000 13.621) 18.360 21.755 ( -5.808 -0.000 -0.716) 5.852 21.862 ( -4.786 0.000 2.015) 5.193 22.302 ( 0.534 -0.000 -0.295) 0.610 22.313 ( 0.290 -0.000 -1.789) 1.813 ======================= Grid point 448 (155/171) ======================= q-point: ( 0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 7.418 7.743) 10.723 1.245 ( -0.000 0.363 11.389) 11.395 1.449 ( -0.000 -0.902 -1.064) 1.395 1.497 ( 0.000 -2.882 -0.562) 2.936 1.597 ( -0.000 3.119 1.517) 3.468 1.764 ( -0.000 -3.381 8.009) 8.693 2.002 ( 0.000 1.646 6.764) 6.962 2.077 ( 0.000 -1.764 11.623) 11.756 2.135 ( 0.000 2.746 14.100) 14.365 2.196 ( 0.000 0.205 23.898) 23.899 2.505 ( 0.000 4.169 15.378) 15.933 2.609 ( 0.000 -1.513 17.302) 17.368 3.933 ( 0.000 4.793 -1.287) 4.963 4.020 ( 0.000 2.380 -8.883) 9.196 4.120 ( 0.000 -3.456 -4.829) 5.938 4.148 ( 0.000 -3.195 -10.535) 11.009 4.431 ( 0.000 5.357 -4.113) 6.753 4.582 ( 0.000 -2.158 -7.521) 7.824 4.958 ( -0.000 9.047 14.721) 17.278 5.273 ( 0.000 -7.707 13.538) 15.578 6.843 ( -0.000 6.785 -3.579) 7.672 7.080 ( -0.000 -5.657 -7.406) 9.319 7.437 ( 0.000 1.825 -7.254) 7.480 7.497 ( 0.000 -0.973 -2.012) 2.235 8.268 ( 0.000 6.708 -2.382) 7.118 8.528 ( 0.000 -6.375 -0.437) 6.390 10.820 ( 0.000 9.700 -13.749) 16.827 10.961 ( 0.000 1.048 -30.701) 30.718 11.363 ( -0.000 6.471 -24.871) 25.699 11.810 ( 0.000 -15.532 -12.815) 20.137 12.853 ( 0.000 1.039 3.438) 3.591 12.940 ( -0.000 -3.515 3.874) 5.231 14.104 ( -0.000 4.342 11.469) 12.263 14.181 ( -0.000 0.577 9.586) 9.603 20.261 ( -0.000 -0.007 8.266) 8.266 20.294 ( -0.000 -2.109 10.852) 11.055 20.594 ( 0.000 -1.196 7.465) 7.560 20.625 ( 0.000 -2.168 4.310) 4.824 21.655 ( 0.000 2.072 3.122) 3.747 21.774 ( -0.000 -3.844 2.156) 4.408 22.295 ( 0.000 1.826 -1.017) 2.090 22.303 ( -0.000 1.422 -0.671) 1.572 ======================= Grid point 449 (156/171) ======================= q-point: ( 0.70 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 2.035 6.061 6.399) 9.046 1.271 ( 2.956 -4.608 4.410) 7.030 1.440 ( 0.027 1.119 3.177) 3.368 1.469 ( 0.364 -1.115 -2.875) 3.105 1.632 ( 3.592 2.908 6.847) 8.261 1.777 ( -0.683 -2.658 2.334) 3.603 2.015 ( 4.947 2.037 4.342) 6.890 2.074 ( 5.369 -2.380 9.471) 11.144 2.297 ( -0.419 2.071 18.573) 18.693 2.374 ( 2.204 -0.739 4.621) 5.173 2.787 ( -9.521 1.414 34.520) 35.837 2.906 ( -9.782 0.560 24.178) 26.088 3.873 ( 8.313 0.330 -13.365) 15.743 3.945 ( 1.034 1.854 -2.557) 3.323 4.062 ( -4.261 0.823 -5.002) 6.622 4.126 ( -6.126 -2.191 -7.015) 9.568 4.312 ( 11.010 0.922 -7.124) 13.146 4.574 ( -5.042 0.538 -5.499) 7.479 5.160 ( 0.761 7.365 14.088) 15.915 5.322 ( -0.564 -6.289 12.958) 14.414 6.754 ( 8.556 1.240 -7.794) 11.640 7.050 ( -6.839 -1.502 -6.860) 9.803 7.399 ( -0.441 1.721 -7.513) 7.720 7.466 ( -3.693 -1.803 -6.021) 7.290 8.312 ( 2.392 6.628 1.835) 7.281 8.468 ( 0.148 -5.719 0.931) 5.797 10.382 ( 20.291 1.075 -25.687) 32.752 11.057 ( -23.137 1.452 -25.817) 34.698 11.261 ( 3.099 8.881 -10.982) 14.459 11.613 ( -7.434 -11.181 -16.555) 21.315 12.839 ( 5.421 0.138 2.303) 5.892 12.968 ( -1.814 -1.631 4.744) 5.335 14.177 ( 5.498 1.817 9.237) 10.902 14.259 ( 1.437 0.941 8.719) 8.886 20.177 ( 10.143 -0.182 7.137) 12.403 20.441 ( 11.193 1.650 2.862) 11.671 20.581 ( -11.329 -3.652 10.520) 15.885 20.752 ( -3.875 -0.785 10.283) 11.017 21.693 ( -1.061 0.388 -0.177) 1.143 21.809 ( -4.884 -1.181 1.854) 5.356 22.299 ( 0.391 1.052 -0.619) 1.282 22.305 ( 0.219 0.395 -0.293) 0.538 ======================= Grid point 450 (157/171) ======================= q-point: ( 0.80 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 3.193 -0.000 -0.669) 3.262 1.208 ( 2.963 0.000 5.269) 6.045 1.399 ( 3.831 -0.000 -4.632) 6.011 1.506 ( -1.173 0.000 6.957) 7.056 1.668 ( 3.707 0.000 11.228) 11.824 1.787 ( -0.736 -0.000 -0.049) 0.737 1.993 ( 1.432 0.000 0.731) 1.608 2.062 ( 8.266 0.000 13.665) 15.970 2.304 ( 7.301 0.000 2.091) 7.594 2.482 ( -0.020 0.000 18.298) 18.298 3.214 ( -8.096 0.000 24.025) 25.353 3.252 ( -7.868 0.000 22.365) 23.708 3.605 ( 9.673 -0.000 -15.455) 18.232 3.937 ( -1.357 0.000 0.841) 1.597 4.015 ( 9.662 -0.000 -12.797) 16.035 4.121 ( 0.290 -0.000 -3.917) 3.928 4.175 ( -7.187 -0.000 -3.267) 7.894 4.592 ( -3.034 -0.000 -5.573) 6.345 5.281 ( 2.437 0.000 11.886) 12.133 5.419 ( -2.029 0.000 10.740) 10.930 6.556 ( 7.287 -0.000 -8.590) 11.264 7.084 ( -5.895 -0.000 -5.443) 8.024 7.331 ( 1.145 -0.000 -7.770) 7.854 7.508 ( -8.674 -0.000 -5.890) 10.485 8.331 ( 2.937 0.000 4.588) 5.447 8.453 ( 0.253 0.000 2.536) 2.548 9.902 ( 15.566 -0.000 -21.142) 26.254 11.141 ( -9.051 -0.000 -15.388) 17.853 11.275 ( -13.304 -0.000 -10.691) 17.068 11.548 ( -10.781 -0.000 -19.111) 21.942 12.753 ( 7.486 0.000 1.131) 7.571 13.027 ( -0.844 0.000 5.448) 5.513 14.155 ( 7.458 0.000 7.375) 10.488 14.281 ( 5.005 0.000 6.491) 8.196 20.083 ( 8.702 0.000 4.444) 9.772 20.265 ( 12.196 0.000 1.175) 12.252 20.777 ( 0.297 0.000 12.028) 12.031 20.943 ( -10.801 0.000 11.547) 15.811 21.711 ( -4.430 -0.000 -4.882) 6.592 21.882 ( -3.168 0.000 0.363) 3.189 22.284 ( 1.143 -0.000 -1.212) 1.666 22.308 ( 0.085 0.000 0.884) 0.888 ======================= Grid point 460 (158/171) ======================= q-point: ( 0.70 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -0.000 6.528 7.053) 9.611 1.362 ( -0.000 -1.968 1.141) 2.275 1.444 ( -0.000 2.737 2.793) 3.911 1.464 ( 0.000 -1.772 -2.190) 2.817 1.642 ( -0.000 1.481 3.032) 3.374 1.827 ( -0.000 -3.326 0.526) 3.367 2.068 ( 0.000 3.097 1.562) 3.468 2.176 ( 0.000 -2.731 1.959) 3.361 2.466 ( 0.000 2.019 21.563) 21.657 2.511 ( 0.000 0.264 16.932) 16.935 2.997 ( 0.000 3.277 34.430) 34.586 3.045 ( 0.000 0.385 29.284) 29.287 3.862 ( 0.000 2.282 -8.808) 9.098 3.885 ( 0.000 4.463 -5.032) 6.726 3.967 ( 0.000 -3.021 -9.415) 9.888 4.016 ( 0.000 -1.856 -7.557) 7.781 4.351 ( 0.000 4.481 -4.786) 6.556 4.445 ( -0.000 -0.556 -7.847) 7.866 5.201 ( 0.000 8.701 12.615) 15.325 5.468 ( 0.000 -5.126 7.960) 9.467 6.777 ( -0.000 2.655 -3.766) 4.608 6.936 ( -0.000 -5.338 -9.272) 10.699 7.284 ( 0.000 3.393 -9.650) 10.229 7.407 ( -0.000 -3.238 -7.972) 8.605 8.281 ( 0.000 7.898 4.039) 8.871 8.532 ( 0.000 -4.859 0.575) 4.893 10.469 ( 0.000 1.782 -25.185) 25.248 10.503 ( 0.000 0.028 -20.948) 20.948 11.070 ( 0.000 11.029 -9.526) 14.573 11.557 ( 0.000 -13.937 -15.767) 21.044 12.917 ( 0.000 0.221 3.892) 3.898 13.001 ( -0.000 -4.040 2.817) 4.926 14.270 ( -0.000 4.011 7.648) 8.636 14.313 ( -0.000 2.166 5.723) 6.119 20.405 ( -0.000 1.629 7.921) 8.087 20.445 ( -0.000 0.011 6.785) 6.785 20.714 ( 0.000 -2.822 5.836) 6.482 20.743 ( 0.000 -5.664 8.804) 10.469 21.690 ( 0.000 2.111 0.820) 2.265 21.788 ( -0.000 -2.695 -0.805) 2.813 22.291 ( 0.000 1.243 0.647) 1.401 22.303 ( -0.000 0.633 0.649) 0.906 ======================= Grid point 461 (159/171) ======================= q-point: ( 0.80 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.794 2.842 2.081) 5.177 1.314 ( 3.414 -1.172 2.315) 4.288 1.420 ( 2.673 -0.514 -1.757) 3.239 1.524 ( -3.064 0.366 5.557) 6.357 1.701 ( -1.816 3.617 1.282) 4.245 1.792 ( -0.822 -3.946 -0.839) 4.117 2.074 ( 4.490 2.116 3.935) 6.334 2.166 ( 0.448 -1.290 1.139) 1.778 2.554 ( 10.744 0.673 16.180) 19.434 2.670 ( 1.780 0.796 21.224) 21.313 3.336 ( -4.128 0.964 26.649) 26.984 3.346 ( -5.238 1.042 24.270) 24.851 3.655 ( 11.310 -0.792 -10.372) 15.366 3.896 ( -2.277 2.711 -4.008) 5.348 3.933 ( -0.637 -0.630 -9.349) 9.392 4.001 ( -9.453 -0.303 -6.323) 11.377 4.215 ( 10.087 0.532 -3.893) 10.825 4.472 ( -5.389 1.198 -5.731) 7.957 5.368 ( 0.106 6.097 9.303) 11.124 5.483 ( -0.638 -3.763 5.051) 6.331 6.628 ( 9.452 -1.389 -6.593) 11.608 6.936 ( -8.454 -0.883 -4.982) 9.852 7.248 ( -0.989 2.261 -9.003) 9.335 7.338 ( -5.123 -2.197 -8.356) 10.045 8.378 ( 1.644 5.805 5.092) 7.895 8.498 ( 0.144 -3.764 1.988) 4.259 9.995 ( 18.692 -0.254 -18.066) 25.997 10.652 ( -22.939 1.253 -19.253) 29.974 11.116 ( -2.456 8.581 -6.283) 10.915 11.340 ( -4.380 -11.136 -14.504) 18.803 12.879 ( 6.560 -0.560 2.100) 6.911 13.037 ( -3.218 -1.442 3.151) 4.729 14.302 ( 5.339 1.701 5.310) 7.720 14.372 ( 1.412 1.426 4.582) 5.002 20.294 ( 12.643 0.190 5.993) 13.993 20.492 ( 14.307 1.402 2.732) 14.633 20.737 ( -12.386 -3.298 7.429) 14.815 20.931 ( -9.387 -1.605 9.866) 13.713 21.658 ( 2.999 0.110 -3.726) 4.784 21.823 ( -4.842 -0.033 0.009) 4.842 22.296 ( 1.075 0.382 0.371) 1.200 22.315 ( -0.141 0.207 1.030) 1.061 ======================= Grid point 462 (160/171) ======================= q-point: ( 0.90 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 275 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 4.089 -0.000 -0.598) 4.132 1.277 ( 4.458 0.000 1.386) 4.668 1.348 ( 4.553 -0.000 -0.111) 4.555 1.617 ( -1.955 0.000 6.007) 6.317 1.771 ( -1.087 -0.000 -2.040) 2.312 1.772 ( -2.800 0.000 0.919) 2.947 2.065 ( 4.010 0.000 7.201) 8.243 2.148 ( 1.611 -0.000 -0.780) 1.789 2.492 ( 14.365 0.000 14.791) 20.618 2.782 ( 5.611 0.000 14.081) 15.158 3.395 ( 9.952 -0.000 -6.094) 11.670 3.497 ( 4.426 0.000 8.132) 9.258 3.594 ( -2.781 0.000 15.468) 15.716 3.764 ( 6.339 -0.000 -15.903) 17.120 4.003 ( -6.838 0.000 6.288) 9.290 4.063 ( 6.013 -0.000 -2.559) 6.535 4.117 ( -10.032 -0.000 -3.077) 10.494 4.490 ( -2.608 -0.000 -5.395) 5.992 5.454 ( 2.189 0.000 7.551) 7.862 5.524 ( -3.097 0.000 1.822) 3.593 6.440 ( 6.676 -0.000 -4.664) 8.144 7.058 ( -9.324 0.000 3.178) 9.851 7.194 ( -0.785 -0.000 -7.031) 7.075 7.375 ( -9.610 -0.000 -9.388) 13.435 8.407 ( 2.465 0.000 3.545) 4.318 8.501 ( 0.584 0.000 2.313) 2.386 9.631 ( 12.163 -0.000 -9.918) 15.694 10.877 ( -22.659 -0.000 -11.544) 25.430 11.177 ( -5.083 -0.000 -3.412) 6.122 11.258 ( -8.639 -0.000 -13.321) 15.877 12.774 ( 8.422 0.000 1.005) 8.482 13.098 ( -2.111 0.000 2.795) 3.503 14.250 ( 7.413 0.000 3.664) 8.269 14.360 ( 5.256 0.000 2.801) 5.956 20.157 ( 10.742 0.000 3.565) 11.319 20.284 ( 13.918 0.000 0.822) 13.942 20.958 ( -7.682 0.000 7.760) 10.920 21.139 ( -6.210 0.000 11.930) 13.450 21.580 ( -1.659 -0.000 -10.096) 10.232 21.881 ( -2.351 -0.000 -0.325) 2.374 22.274 ( 2.191 -0.000 -0.143) 2.196 22.325 ( 0.083 0.000 0.921) 0.924 ======================= Grid point 464 (161/171) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 171 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 4.189 0.000 -0.000) 4.189 1.275 ( 5.348 0.000 -0.000) 5.348 1.364 ( 4.667 0.000 -0.000) 4.667 1.700 ( -2.136 -0.000 0.000) 2.136 1.723 ( -1.333 -0.000 0.000) 1.333 1.768 ( -4.250 -0.000 0.000) 4.250 2.135 ( 2.466 0.000 -0.000) 2.466 2.147 ( 2.048 0.000 -0.000) 2.048 2.641 ( 13.621 0.000 -0.000) 13.621 2.893 ( 12.220 0.000 -0.000) 12.220 3.452 ( 3.357 0.000 -0.000) 3.357 3.511 ( 9.090 0.000 -0.000) 9.090 3.548 ( 8.653 0.000 -0.000) 8.653 3.741 ( 0.074 0.000 -0.000) 0.074 4.040 ( 7.784 0.000 -0.000) 7.784 4.078 ( -11.929 -0.000 0.000) 11.929 4.085 ( -7.425 -0.000 0.000) 7.425 4.438 ( -1.506 -0.000 0.000) 1.506 5.522 ( 1.621 0.000 -0.000) 1.621 5.527 ( -4.264 -0.000 0.000) 4.264 6.400 ( 5.695 0.000 -0.000) 5.695 7.127 ( -1.654 -0.000 0.000) 1.654 7.148 ( -15.771 -0.000 0.000) 15.771 7.234 ( -5.051 -0.000 0.000) 5.051 8.439 ( 2.473 0.000 -0.000) 2.473 8.520 ( 1.325 0.000 -0.000) 1.325 9.551 ( 10.033 0.000 -0.000) 10.033 10.776 ( -24.283 -0.000 0.000) 24.283 11.135 ( -7.273 -0.000 0.000) 7.273 11.146 ( -5.382 -0.000 0.000) 5.382 12.783 ( 8.672 0.000 -0.000) 8.672 13.122 ( -2.498 -0.000 0.000) 2.498 14.282 ( 7.329 0.000 -0.000) 7.329 14.383 ( 5.336 0.000 -0.000) 5.336 20.190 ( 11.176 0.000 -0.000) 11.176 20.291 ( 14.714 0.000 -0.000) 14.714 21.024 ( -11.206 -0.000 0.000) 11.206 21.323 ( -14.839 -0.000 0.000) 14.839 21.413 ( 10.292 0.000 -0.000) 10.292 21.877 ( -2.167 -0.000 0.000) 2.167 22.274 ( 2.629 0.000 -0.000) 2.629 22.334 ( 0.189 0.000 -0.000) 0.189 ======================= Grid point 472 (162/171) ======================= q-point: ( 0.80 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 282 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -0.000 3.303 4.391) 5.494 1.344 ( -0.000 -1.881 -1.448) 2.373 1.445 ( -0.000 1.544 0.515) 1.627 1.499 ( -0.000 5.614 1.596) 5.837 1.691 ( -0.000 -2.846 2.827) 4.012 1.806 ( -0.000 -3.588 -2.593) 4.427 2.097 ( 0.000 4.038 2.476) 4.737 2.183 ( 0.000 -0.569 -0.876) 1.045 2.806 ( 0.000 2.135 15.917) 16.059 2.819 ( 0.000 0.931 17.646) 17.671 3.477 ( 0.000 2.071 16.879) 17.005 3.524 ( 0.000 1.201 23.594) 23.624 3.737 ( 0.000 0.588 -5.453) 5.485 3.780 ( 0.000 4.535 -4.544) 6.419 3.847 ( 0.000 -3.983 -4.360) 5.905 3.862 ( 0.000 0.217 -9.006) 9.009 4.286 ( 0.000 3.727 -2.225) 4.341 4.332 ( -0.000 1.123 -4.926) 5.053 5.370 ( 0.000 6.321 6.867) 9.333 5.522 ( 0.000 -1.353 -1.526) 2.039 6.725 ( -0.000 -1.107 -2.139) 2.409 6.782 ( -0.000 -3.698 -7.496) 8.359 7.147 ( 0.000 2.903 -4.867) 5.667 7.257 ( -0.000 -3.091 -8.510) 9.054 8.383 ( 0.000 5.998 6.840) 9.097 8.532 ( 0.000 -1.434 -1.015) 1.757 10.134 ( -0.000 2.121 -12.874) 13.047 10.186 ( -0.000 -0.257 -14.347) 14.349 10.999 ( 0.000 4.184 0.712) 4.244 11.292 ( 0.000 -10.375 -14.347) 17.705 12.980 ( 0.000 -0.981 3.209) 3.355 13.031 ( 0.000 -3.533 0.614) 3.586 14.366 ( -0.000 3.601 3.655) 5.131 14.382 ( -0.000 2.997 2.484) 3.893 20.517 ( -0.000 2.742 4.770) 5.501 20.534 ( -0.000 2.019 3.511) 4.050 20.815 ( -0.000 -4.467 5.461) 7.056 20.862 ( 0.000 -7.556 4.343) 8.715 21.692 ( 0.000 2.305 -0.018) 2.306 21.752 ( -0.000 -0.748 -2.899) 2.993 22.312 ( 0.000 0.317 1.348) 1.384 22.319 ( -0.000 -0.116 0.976) 0.983 ======================= Grid point 473 (163/171) ======================= q-point: ( 0.90 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 500 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 4.681 -0.115 -0.098) 4.683 1.333 ( 1.264 -0.821 -0.118) 1.512 1.431 ( 5.810 2.217 1.951) 6.517 1.603 ( -4.397 3.818 2.713) 6.425 1.706 ( -2.068 -0.882 0.698) 2.354 1.754 ( -1.748 -3.881 -3.080) 5.254 2.141 ( 1.433 2.607 2.998) 4.224 2.167 ( 1.152 -0.008 -0.439) 1.232 2.799 ( 11.904 0.304 9.206) 15.051 2.973 ( 3.062 0.950 11.226) 11.675 3.506 ( 7.944 0.415 0.440) 7.967 3.630 ( 3.759 -1.146 5.346) 6.635 3.695 ( 0.885 0.849 -3.892) 4.081 3.706 ( 5.136 1.609 1.964) 5.729 3.895 ( -10.809 -0.162 -1.175) 10.873 3.945 ( -8.616 1.154 1.726) 8.862 4.175 ( 8.885 0.648 -0.993) 8.964 4.398 ( -4.516 1.483 -2.350) 5.303 5.465 ( -1.377 3.547 1.815) 4.216 5.511 ( -1.408 -0.648 -0.011) 1.550 6.540 ( 9.065 -2.579 -3.020) 9.896 6.904 ( -13.642 -0.333 0.494) 13.655 7.133 ( 0.132 0.784 -3.215) 3.312 7.203 ( -3.841 -0.953 -6.051) 7.230 8.457 ( 2.039 2.351 3.238) 4.491 8.519 ( -0.065 0.278 0.251) 0.380 9.786 ( 16.945 -0.321 -6.048) 17.995 10.424 ( -23.374 2.195 -6.799) 24.442 11.059 ( -3.556 1.641 0.141) 3.919 11.137 ( -3.302 -6.404 -8.407) 11.072 12.905 ( 7.106 -1.055 0.828) 7.232 13.074 ( -3.877 -1.165 1.081) 4.190 14.362 ( 5.060 1.657 1.687) 5.585 14.422 ( 1.499 1.572 1.383) 2.575 20.368 ( 13.489 0.491 2.334) 13.698 20.526 ( 15.927 1.341 1.085) 16.020 20.827 ( -13.065 -3.399 2.793) 13.786 21.067 ( -15.340 -2.002 4.869) 16.218 21.589 ( 8.888 0.380 -3.119) 9.427 21.818 ( -5.157 0.690 -0.295) 5.211 22.305 ( 1.590 -0.066 0.405) 1.642 22.331 ( -0.236 -0.003 0.605) 0.650 ======================= Grid point 484 (164/171) ======================= q-point: (-0.10 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 0.000 -1.018 -0.785) 1.286 1.323 ( 0.000 -1.018 0.785) 1.286 1.482 ( 0.000 6.002 -2.506) 6.504 1.482 ( 0.000 6.002 2.506) 6.504 1.748 ( -0.000 -4.308 -3.732) 5.700 1.748 ( 0.000 -4.308 3.732) 5.700 2.149 ( -0.000 2.508 -2.931) 3.857 2.149 ( 0.000 2.508 2.931) 3.857 2.981 ( 0.000 1.647 -0.701) 1.790 2.981 ( 0.000 1.647 0.701) 1.790 3.622 ( -0.000 2.885 -5.826) 6.501 3.622 ( 0.000 2.885 5.826) 6.501 3.718 ( -0.000 -1.180 -2.469) 2.736 3.718 ( 0.000 -1.180 2.469) 2.736 3.838 ( -0.000 0.554 -1.639) 1.730 3.838 ( 0.000 0.554 1.639) 1.730 4.279 ( 0.000 2.484 -0.626) 2.562 4.279 ( 0.000 2.484 0.626) 2.562 5.458 ( -0.000 2.435 -4.352) 4.987 5.458 ( 0.000 2.435 4.352) 4.987 6.709 ( 0.000 -2.081 -0.229) 2.094 6.709 ( 0.000 -2.081 0.229) 2.094 7.142 ( -0.000 -0.580 -3.961) 4.004 7.142 ( 0.000 -0.580 3.961) 4.004 8.486 ( -0.000 2.484 -4.480) 5.122 8.486 ( 0.000 2.484 4.480) 5.122 10.040 ( 0.000 1.487 -0.531) 1.579 10.040 ( 0.000 1.487 0.531) 1.579 11.086 ( -0.000 -4.286 -9.044) 10.008 11.086 ( 0.000 -4.286 9.044) 10.008 13.022 ( 0.000 -2.358 -1.023) 2.571 13.022 ( 0.000 -2.358 1.023) 2.571 14.400 ( 0.000 3.331 -0.200) 3.337 14.400 ( 0.000 3.331 0.200) 3.337 20.562 ( 0.000 2.934 -0.049) 2.934 20.562 ( 0.000 2.934 0.049) 2.934 20.883 ( 0.000 -6.630 -0.713) 6.668 20.883 ( 0.000 -6.630 0.713) 6.668 21.706 ( 0.000 1.282 -1.119) 1.701 21.706 ( 0.000 1.282 1.119) 1.701 22.327 ( 0.000 -0.235 -0.167) 0.288 22.327 ( 0.000 -0.235 0.167) 0.288 ======================= Grid point 525 (165/171) ======================= q-point: ( 0.50 -0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -0.407 -0.702 -0.000) 0.812 0.863 ( -0.407 0.702 0.000) 0.812 1.491 ( -12.057 -0.022 -0.000) 12.057 1.491 ( -12.057 0.022 0.000) 12.057 1.601 ( -0.101 -0.770 0.000) 0.777 1.601 ( -0.101 0.770 0.000) 0.777 1.836 ( -1.531 -0.025 -0.000) 1.531 1.836 ( -1.531 0.025 0.000) 1.531 1.944 ( -3.271 -1.306 0.000) 3.522 1.944 ( -3.271 1.306 0.000) 3.522 2.502 ( -5.911 -0.344 0.000) 5.921 2.502 ( -5.911 0.344 0.000) 5.921 4.114 ( -3.149 -2.542 0.000) 4.047 4.114 ( -3.149 2.542 0.000) 4.047 4.200 ( 5.153 -1.796 0.000) 5.457 4.200 ( 5.153 1.796 0.000) 5.457 4.532 ( 9.076 -1.334 0.000) 9.173 4.532 ( 9.076 1.334 0.000) 9.173 4.840 ( -6.011 -7.667 0.000) 9.743 4.840 ( -6.011 7.667 -0.000) 9.743 7.093 ( -0.265 -5.181 -0.000) 5.188 7.093 ( -0.265 5.181 0.000) 5.188 7.548 ( -1.251 -0.000 -0.000) 1.251 7.548 ( -1.251 0.000 0.000) 1.251 8.381 ( 4.521 -3.759 0.000) 5.879 8.381 ( 4.521 3.759 0.000) 5.879 11.113 ( 15.579 -13.275 0.000) 20.468 11.113 ( 15.579 13.275 0.000) 20.468 12.251 ( -11.100 -9.729 0.000) 14.760 12.251 ( -11.100 9.729 -0.000) 14.760 12.759 ( 3.785 -2.404 0.000) 4.484 12.759 ( 3.785 2.404 0.000) 4.484 13.775 ( 3.237 -0.004 -0.000) 3.237 13.775 ( 3.237 0.004 0.000) 3.237 20.191 ( -4.333 -1.128 -0.000) 4.477 20.191 ( -4.333 1.128 0.000) 4.477 20.341 ( 4.338 -0.105 -0.000) 4.339 20.341 ( 4.338 0.105 0.000) 4.339 21.775 ( -7.047 -1.540 -0.000) 7.213 21.775 ( -7.047 1.540 0.000) 7.213 22.335 ( 0.687 -0.187 -0.000) 0.712 22.335 ( 0.687 0.187 0.000) 0.712 ======================= Grid point 537 (166/171) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -0.000 -4.691 0.000) 4.691 0.852 ( 0.000 4.691 -0.000) 4.691 1.243 ( -0.000 -6.894 0.000) 6.894 1.243 ( 0.000 6.894 -0.000) 6.894 1.609 ( -0.000 -0.186 0.000) 0.186 1.609 ( 0.000 0.186 -0.000) 0.186 1.807 ( -0.000 -0.426 0.000) 0.426 1.807 ( 0.000 0.426 -0.000) 0.426 1.906 ( -0.000 -6.891 0.000) 6.891 1.906 ( 0.000 6.891 -0.000) 6.891 2.415 ( -0.000 -0.591 0.000) 0.591 2.415 ( 0.000 0.591 -0.000) 0.591 4.055 ( -0.000 -6.528 0.000) 6.528 4.055 ( 0.000 6.528 -0.000) 6.528 4.277 ( -0.000 -3.482 0.000) 3.482 4.277 ( 0.000 3.482 -0.000) 3.482 4.688 ( -0.000 -4.603 0.000) 4.603 4.688 ( 0.000 4.603 -0.000) 4.603 4.743 ( -0.000 -9.872 0.000) 9.872 4.743 ( 0.000 9.872 -0.000) 9.872 7.095 ( -0.000 -8.879 0.000) 8.879 7.095 ( 0.000 8.879 -0.000) 8.879 7.517 ( -0.000 -2.005 0.000) 2.005 7.517 ( 0.000 2.005 -0.000) 2.005 8.453 ( -0.000 -5.379 0.000) 5.379 8.453 ( 0.000 5.379 -0.000) 5.379 11.446 ( -0.000 -22.769 0.000) 22.769 11.446 ( 0.000 22.769 -0.000) 22.769 11.965 ( -0.000 -7.135 0.000) 7.135 11.965 ( 0.000 7.135 -0.000) 7.135 12.833 ( -0.000 -2.557 0.000) 2.557 12.833 ( 0.000 2.557 -0.000) 2.557 13.844 ( -0.000 -2.352 0.000) 2.352 13.844 ( 0.000 2.352 -0.000) 2.352 20.047 ( -0.000 -2.403 0.000) 2.403 20.047 ( 0.000 2.403 -0.000) 2.403 20.513 ( -0.000 -2.026 0.000) 2.026 20.513 ( 0.000 2.026 -0.000) 2.026 21.633 ( -0.000 -3.724 0.000) 3.724 21.633 ( 0.000 3.724 -0.000) 3.724 22.346 ( -0.000 -0.009 0.000) 0.009 22.346 ( 0.000 0.009 -0.000) 0.009 ======================= Grid point 549 (167/171) ======================= q-point: (-0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 -1.036 12.199) 12.243 1.003 ( 0.000 1.036 12.199) 12.243 1.356 ( 0.000 -1.039 11.208) 11.256 1.356 ( 0.000 1.039 11.208) 11.256 1.606 ( 0.000 -0.396 1.079) 1.150 1.606 ( 0.000 0.396 1.079) 1.150 1.881 ( 0.000 -0.003 7.993) 7.993 1.881 ( 0.000 0.003 7.993) 7.993 1.952 ( 0.000 -4.704 6.650) 8.146 1.952 ( 0.000 4.704 6.650) 8.146 2.427 ( 0.000 -0.615 2.266) 2.348 2.427 ( 0.000 0.615 2.266) 2.348 4.046 ( -0.000 -5.575 -0.958) 5.656 4.046 ( 0.000 5.575 -0.958) 5.656 4.230 ( -0.000 -3.054 -5.640) 6.413 4.230 ( -0.000 3.054 -5.640) 6.413 4.612 ( -0.000 -5.217 -4.834) 7.112 4.612 ( -0.000 5.217 -4.834) 7.112 4.884 ( 0.000 -8.431 11.992) 14.659 4.884 ( 0.000 8.431 11.992) 14.659 7.059 ( -0.000 -7.632 -3.989) 8.611 7.059 ( -0.000 7.632 -3.989) 8.611 7.515 ( -0.000 -0.642 -0.670) 0.928 7.515 ( -0.000 0.642 -0.670) 0.928 8.431 ( -0.000 -5.893 -2.231) 6.301 8.431 ( -0.000 5.893 -2.231) 6.301 11.319 ( -0.000 -14.090 -15.058) 20.622 11.319 ( -0.000 14.090 -15.058) 20.622 11.812 ( -0.000 -0.261 -15.153) 15.155 11.812 ( -0.000 0.261 -15.153) 15.155 12.842 ( 0.000 -2.210 1.489) 2.665 12.842 ( 0.000 2.210 1.489) 2.665 13.961 ( 0.000 -2.382 11.417) 11.663 13.961 ( 0.000 2.382 11.417) 11.663 20.112 ( 0.000 -0.398 7.127) 7.138 20.112 ( 0.000 0.398 7.127) 7.138 20.533 ( 0.000 -1.165 2.352) 2.624 20.533 ( 0.000 1.165 2.352) 2.624 21.657 ( 0.000 -3.498 2.551) 4.329 21.657 ( 0.000 3.498 2.551) 4.329 22.336 ( -0.000 -0.020 -1.077) 1.077 22.336 ( -0.000 0.020 -1.077) 1.077 ======================= Grid point 561 (168/171) ======================= q-point: (-0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.000 -5.985 8.311) 10.242 1.178 ( 0.000 5.985 8.311) 10.242 1.457 ( -0.000 -1.222 0.184) 1.236 1.457 ( 0.000 1.222 0.184) 1.236 1.683 ( 0.000 -4.385 5.231) 6.826 1.683 ( 0.000 4.385 5.231) 6.826 2.038 ( 0.000 -1.908 8.293) 8.509 2.038 ( 0.000 1.908 8.293) 8.509 2.180 ( 0.000 -0.614 17.784) 17.795 2.180 ( 0.000 0.614 17.784) 17.795 2.571 ( 0.000 -1.447 18.213) 18.270 2.571 ( 0.000 1.447 18.213) 18.270 4.018 ( -0.000 -3.294 -2.634) 4.218 4.018 ( -0.000 3.294 -2.634) 4.218 4.093 ( -0.000 -1.194 -9.457) 9.532 4.093 ( -0.000 1.194 -9.457) 9.532 4.523 ( -0.000 -3.081 -5.737) 6.512 4.523 ( -0.000 3.081 -5.737) 6.512 5.122 ( 0.000 -8.340 14.706) 16.906 5.122 ( 0.000 8.340 14.706) 16.906 6.967 ( -0.000 -5.273 -6.463) 8.341 6.967 ( -0.000 5.273 -6.463) 8.341 7.471 ( -0.000 -1.654 -4.970) 5.238 7.471 ( -0.000 1.654 -4.970) 5.238 8.400 ( -0.000 -7.041 -0.648) 7.071 8.400 ( 0.000 7.041 -0.648) 7.071 10.945 ( -0.000 -0.996 -26.385) 26.404 10.945 ( -0.000 0.996 -26.385) 26.404 11.540 ( -0.000 -11.658 -15.149) 19.115 11.540 ( -0.000 11.658 -15.149) 19.115 12.885 ( 0.000 -1.988 3.227) 3.790 12.885 ( 0.000 1.988 3.227) 3.790 14.165 ( 0.000 -1.843 11.000) 11.154 14.165 ( 0.000 1.843 11.000) 11.154 20.268 ( 0.000 -0.107 10.131) 10.131 20.268 ( 0.000 0.107 10.131) 10.131 20.594 ( 0.000 -0.231 4.660) 4.666 20.594 ( 0.000 0.231 4.660) 4.666 21.706 ( 0.000 -2.934 2.733) 4.010 21.706 ( 0.000 2.934 2.733) 4.010 22.315 ( -0.000 -0.195 -1.060) 1.078 22.315 ( -0.000 0.195 -1.060) 1.078 ======================= Grid point 573 (169/171) ======================= q-point: (-0.20 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 0.000 -5.180 4.242) 6.695 1.290 ( 0.000 5.180 4.242) 6.695 1.450 ( 0.000 -0.097 0.678) 0.685 1.450 ( 0.000 0.097 0.678) 0.685 1.734 ( -0.000 -6.029 0.947) 6.103 1.734 ( 0.000 6.029 0.947) 6.103 2.125 ( 0.000 -2.568 2.563) 3.628 2.125 ( 0.000 2.568 2.563) 3.628 2.499 ( 0.000 -1.379 19.560) 19.608 2.499 ( 0.000 1.379 19.560) 19.608 3.040 ( 0.000 -0.854 31.554) 31.566 3.040 ( 0.000 0.854 31.554) 31.566 3.904 ( -0.000 -1.153 -9.664) 9.733 3.904 ( -0.000 1.153 -9.664) 9.733 3.967 ( -0.000 -3.099 -5.731) 6.515 3.967 ( -0.000 3.099 -5.731) 6.515 4.418 ( -0.000 -1.258 -6.019) 6.149 4.418 ( -0.000 1.258 -6.019) 6.149 5.351 ( 0.000 -7.159 10.894) 13.036 5.351 ( 0.000 7.159 10.894) 13.036 6.844 ( -0.000 -2.857 -7.533) 8.056 6.844 ( -0.000 2.857 -7.533) 8.056 7.346 ( -0.000 -3.222 -8.831) 9.400 7.346 ( -0.000 3.222 -8.831) 9.400 8.421 ( 0.000 -6.788 2.907) 7.384 8.421 ( 0.000 6.788 2.907) 7.384 10.495 ( -0.000 -0.077 -23.959) 23.959 10.495 ( -0.000 0.077 -23.959) 23.959 11.299 ( -0.000 -13.036 -12.741) 18.228 11.299 ( -0.000 13.036 -12.741) 18.228 12.942 ( 0.000 -1.614 3.090) 3.486 12.942 ( 0.000 1.614 3.090) 3.486 14.320 ( 0.000 -0.875 6.909) 6.964 14.320 ( 0.000 0.875 6.909) 6.964 20.435 ( 0.000 -0.227 8.743) 8.746 20.435 ( 0.000 0.227 8.743) 8.746 20.686 ( 0.000 -0.025 5.702) 5.702 20.686 ( 0.000 0.025 5.702) 5.702 21.736 ( 0.000 -2.000 0.540) 2.072 21.736 ( 0.000 2.000 0.540) 2.072 22.307 ( 0.000 -0.271 0.170) 0.320 22.307 ( 0.000 0.271 0.170) 0.320 ======================= Grid point 586 (170/171) ======================= q-point: (-0.10 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 0.000 -0.731 -0.230) 0.766 1.317 ( 0.000 0.731 -0.230) 0.766 1.503 ( 0.000 -2.882 4.646) 5.467 1.503 ( 0.000 2.882 4.646) 5.467 1.721 ( -0.000 -4.775 -2.226) 5.268 1.721 ( -0.000 4.775 -2.226) 5.268 2.159 ( 0.000 -2.215 1.672) 2.775 2.159 ( 0.000 2.215 1.672) 2.775 2.827 ( 0.000 -0.018 16.895) 16.895 2.827 ( 0.000 0.018 16.895) 16.895 3.518 ( 0.000 -1.710 19.932) 20.005 3.518 ( 0.000 1.710 19.932) 20.005 3.772 ( -0.000 -1.561 -4.383) 4.653 3.772 ( -0.000 1.561 -4.383) 4.653 3.845 ( -0.000 -1.784 -7.193) 7.411 3.845 ( -0.000 1.784 -7.193) 7.411 4.334 ( -0.000 -0.324 -3.377) 3.393 4.334 ( -0.000 0.324 -3.377) 3.393 5.470 ( 0.000 -4.150 2.814) 5.014 5.470 ( 0.000 4.150 2.814) 5.014 6.729 ( -0.000 -0.460 -4.942) 4.964 6.729 ( -0.000 0.460 -4.942) 4.964 7.202 ( -0.000 -2.741 -6.919) 7.442 7.202 ( -0.000 2.741 -6.919) 7.442 8.479 ( 0.000 -4.016 3.183) 5.124 8.479 ( 0.000 4.016 3.183) 5.124 10.169 ( -0.000 -0.200 -13.127) 13.128 10.169 ( -0.000 0.200 -13.127) 13.128 11.115 ( -0.000 -8.129 -8.022) 11.421 11.115 ( -0.000 8.129 -8.022) 11.421 12.985 ( 0.000 -0.658 1.800) 1.916 12.985 ( 0.000 0.658 1.800) 1.916 14.405 ( 0.000 -0.199 3.122) 3.128 14.405 ( 0.000 0.199 3.122) 3.128 20.555 ( 0.000 -0.035 5.017) 5.017 20.555 ( 0.000 0.035 5.017) 5.017 20.774 ( 0.000 -0.144 3.940) 3.943 20.774 ( 0.000 0.144 3.940) 3.943 21.729 ( 0.000 -0.691 -0.943) 1.169 21.729 ( 0.000 0.691 -0.943) 1.169 22.317 ( 0.000 -0.103 0.796) 0.803 22.317 ( 0.000 0.103 0.796) 0.803 ======================= Grid point 588 (171/171) ======================= q-point: (-1.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -3.042 -0.000 0.000) 3.042 1.312 ( 3.042 0.000 -0.000) 3.042 1.559 ( -6.656 -0.000 0.000) 6.656 1.559 ( 6.656 0.000 -0.000) 6.656 1.687 ( -0.004 -0.000 0.000) 0.004 1.687 ( 0.004 0.000 0.000) 0.004 2.175 ( -0.252 -0.000 0.000) 0.252 2.175 ( 0.252 0.000 -0.000) 0.252 2.996 ( -7.249 -0.000 0.000) 7.249 2.996 ( 7.249 0.000 -0.000) 7.249 3.673 ( -12.850 -0.000 0.000) 12.850 3.673 ( 12.850 0.000 -0.000) 12.850 3.680 ( -0.216 -0.000 0.000) 0.216 3.680 ( 0.216 0.000 -0.000) 0.216 3.845 ( -7.735 -0.000 0.000) 7.735 3.845 ( 7.735 0.000 -0.000) 7.735 4.305 ( -7.538 -0.000 0.000) 7.538 4.305 ( 7.538 0.000 -0.000) 7.538 5.482 ( -1.558 -0.000 0.000) 1.558 5.482 ( 1.558 0.000 -0.000) 1.558 6.687 ( -13.138 -0.000 0.000) 13.138 6.687 ( 13.138 0.000 -0.000) 13.138 7.137 ( -1.805 -0.000 0.000) 1.805 7.137 ( 1.805 0.000 -0.000) 1.805 8.510 ( -1.722 -0.000 0.000) 1.722 8.510 ( 1.722 0.000 -0.000) 1.722 10.055 ( -21.700 -0.000 0.000) 21.700 10.055 ( 21.700 0.000 -0.000) 21.700 11.043 ( -0.811 -0.000 0.000) 0.811 11.043 ( 0.811 0.000 -0.000) 0.811 13.001 ( -5.572 -0.000 0.000) 5.572 13.001 ( 5.572 0.000 -0.000) 5.572 14.431 ( -2.017 -0.000 0.000) 2.017 14.431 ( 2.017 0.000 -0.000) 2.017 20.600 ( -14.763 -0.000 0.000) 14.763 20.600 ( 14.763 0.000 -0.000) 14.763 20.809 ( -18.079 -0.000 0.000) 18.079 20.809 ( 18.079 0.000 -0.000) 18.079 21.719 ( -8.114 -0.000 0.000) 8.114 21.719 ( 8.114 0.000 -0.000) 8.114 22.325 ( -0.845 -0.000 0.000) 0.845 22.325 ( 0.845 0.000 -0.000) 0.845 =================== 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 3/42000 10.0 148.650 146.685 193.931 0.000 0.000 0.000 3/42000 20.0 43.217 32.763 77.957 0.000 0.000 0.000 3/42000 30.0 23.937 16.290 47.964 0.000 0.000 0.000 3/42000 40.0 15.783 10.152 33.266 0.000 0.000 0.000 3/42000 50.0 11.571 7.193 25.093 0.000 0.000 0.000 3/42000 60.0 9.095 5.533 20.063 0.000 0.000 0.000 3/42000 70.0 7.491 4.494 16.699 0.000 0.000 0.000 3/42000 80.0 6.374 3.789 14.302 0.000 0.000 0.000 3/42000 90.0 5.554 3.280 12.510 0.000 0.000 0.000 3/42000 100.0 4.926 2.896 11.121 0.000 0.000 0.000 3/42000 110.0 4.431 2.595 10.012 0.000 0.000 0.000 3/42000 120.0 4.030 2.354 9.108 0.000 0.000 0.000 3/42000 130.0 3.699 2.156 8.356 0.000 0.000 0.000 3/42000 140.0 3.422 1.990 7.722 0.000 0.000 0.000 3/42000 150.0 3.186 1.849 7.179 0.000 0.000 0.000 3/42000 160.0 2.982 1.727 6.710 0.000 0.000 0.000 3/42000 170.0 2.806 1.622 6.301 0.000 0.000 0.000 3/42000 180.0 2.650 1.529 5.940 0.000 0.000 0.000 3/42000 190.0 2.513 1.447 5.619 0.000 0.000 0.000 3/42000 200.0 2.390 1.373 5.333 0.000 0.000 0.000 3/42000 210.0 2.280 1.307 5.075 0.000 0.000 0.000 3/42000 220.0 2.180 1.248 4.842 0.000 0.000 0.000 3/42000 230.0 2.090 1.194 4.630 0.000 0.000 0.000 3/42000 240.0 2.007 1.144 4.436 0.000 0.000 0.000 3/42000 250.0 1.931 1.099 4.259 0.000 0.000 0.000 3/42000 260.0 1.862 1.057 4.096 0.000 0.000 0.000 3/42000 270.0 1.797 1.018 3.945 0.000 0.000 0.000 3/42000 280.0 1.737 0.983 3.805 0.000 0.000 0.000 3/42000 290.0 1.681 0.949 3.675 0.000 0.000 0.000 3/42000 300.0 1.628 0.918 3.553 0.000 0.000 0.000 3/42000 310.0 1.579 0.889 3.440 0.000 0.000 0.000 3/42000 320.0 1.533 0.862 3.334 0.000 0.000 0.000 3/42000 330.0 1.490 0.836 3.234 0.000 0.000 0.000 3/42000 340.0 1.449 0.812 3.140 0.000 0.000 0.000 3/42000 350.0 1.411 0.790 3.052 0.000 0.000 0.000 3/42000 360.0 1.374 0.768 2.968 0.000 0.000 0.000 3/42000 370.0 1.340 0.748 2.889 0.000 0.000 0.000 3/42000 380.0 1.307 0.729 2.814 0.000 0.000 0.000 3/42000 390.0 1.275 0.710 2.743 0.000 0.000 0.000 3/42000 400.0 1.245 0.693 2.676 0.000 0.000 0.000 3/42000 410.0 1.217 0.677 2.611 0.000 0.000 0.000 3/42000 420.0 1.190 0.661 2.550 0.000 0.000 0.000 3/42000 430.0 1.164 0.646 2.492 0.000 0.000 0.000 3/42000 440.0 1.139 0.631 2.436 0.000 0.000 0.000 3/42000 450.0 1.115 0.618 2.383 0.000 0.000 0.000 3/42000 460.0 1.092 0.605 2.332 0.000 0.000 0.000 3/42000 470.0 1.070 0.592 2.283 0.000 0.000 0.000 3/42000 480.0 1.049 0.580 2.236 0.000 0.000 0.000 3/42000 490.0 1.029 0.568 2.191 0.000 0.000 0.000 3/42000 500.0 1.009 0.557 2.148 0.000 0.000 0.000 3/42000 510.0 0.991 0.546 2.106 0.000 0.000 0.000 3/42000 520.0 0.973 0.536 2.066 0.000 0.000 0.000 3/42000 530.0 0.955 0.526 2.028 0.000 0.000 0.000 3/42000 540.0 0.938 0.517 1.991 0.000 0.000 0.000 3/42000 550.0 0.922 0.507 1.955 0.000 0.000 0.000 3/42000 560.0 0.906 0.499 1.921 0.000 0.000 0.000 3/42000 570.0 0.891 0.490 1.887 0.000 0.000 0.000 3/42000 580.0 0.877 0.482 1.855 0.000 0.000 0.000 3/42000 590.0 0.862 0.474 1.824 0.000 0.000 0.000 3/42000 600.0 0.849 0.466 1.794 0.000 0.000 0.000 3/42000 610.0 0.835 0.458 1.765 0.000 0.000 0.000 3/42000 620.0 0.822 0.451 1.737 0.000 0.000 0.000 3/42000 630.0 0.810 0.444 1.710 0.000 0.000 0.000 3/42000 640.0 0.798 0.437 1.683 0.000 0.000 0.000 3/42000 650.0 0.786 0.431 1.658 0.000 0.000 0.000 3/42000 660.0 0.774 0.424 1.633 0.000 0.000 0.000 3/42000 670.0 0.763 0.418 1.609 0.000 0.000 0.000 3/42000 680.0 0.752 0.412 1.585 0.000 0.000 0.000 3/42000 690.0 0.742 0.406 1.563 0.000 0.000 0.000 3/42000 700.0 0.732 0.400 1.541 0.000 0.000 0.000 3/42000 710.0 0.722 0.395 1.519 0.000 0.000 0.000 3/42000 720.0 0.712 0.389 1.498 0.000 0.000 0.000 3/42000 730.0 0.703 0.384 1.478 0.000 0.000 0.000 3/42000 740.0 0.693 0.379 1.458 0.000 0.000 0.000 3/42000 750.0 0.684 0.374 1.439 0.000 0.000 0.000 3/42000 760.0 0.676 0.369 1.420 0.000 0.000 0.000 3/42000 770.0 0.667 0.364 1.402 0.000 0.000 0.000 3/42000 780.0 0.659 0.360 1.384 0.000 0.000 0.000 3/42000 790.0 0.651 0.355 1.367 0.000 0.000 0.000 3/42000 800.0 0.643 0.351 1.350 0.000 0.000 0.000 3/42000 810.0 0.635 0.346 1.333 0.000 0.000 0.000 3/42000 820.0 0.628 0.342 1.317 0.000 0.000 0.000 3/42000 830.0 0.620 0.338 1.301 0.000 0.000 0.000 3/42000 840.0 0.613 0.334 1.286 0.000 0.000 0.000 3/42000 850.0 0.606 0.330 1.271 0.000 0.000 0.000 3/42000 860.0 0.599 0.327 1.256 0.000 0.000 0.000 3/42000 870.0 0.592 0.323 1.242 0.000 0.000 0.000 3/42000 880.0 0.586 0.319 1.228 0.000 0.000 0.000 3/42000 890.0 0.579 0.316 1.214 0.000 0.000 0.000 3/42000 900.0 0.573 0.312 1.201 0.000 0.000 0.000 3/42000 910.0 0.567 0.309 1.188 0.000 0.000 0.000 3/42000 920.0 0.561 0.305 1.175 0.000 0.000 0.000 3/42000 930.0 0.555 0.302 1.162 0.000 0.000 0.000 3/42000 940.0 0.549 0.299 1.150 0.000 0.000 0.000 3/42000 950.0 0.544 0.296 1.138 0.000 0.000 0.000 3/42000 960.0 0.538 0.293 1.126 0.000 0.000 0.000 3/42000 970.0 0.533 0.290 1.115 0.000 0.000 0.000 3/42000 980.0 0.527 0.287 1.104 0.000 0.000 0.000 3/42000 990.0 0.522 0.284 1.092 0.000 0.000 0.000 3/42000 1000.0 0.517 0.281 1.082 0.000 0.000 0.000 3/42000 Thermal conductivity related properties were written into "kappa-m101010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:25:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|