----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:30:03]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.666434350000001 6.843220085000000 b 3.313474470000001 0.000000000000000 6.843220085000000 c 3.313474470000001 5.666434350000001 0.000000000000000 Atomic positions (fractional): *1 Se 0.05360042871279 0.71802902489748 0.28197097510252 78.960 2 Se 0.71802902489748 0.05360042871280 0.94639957128720 78.960 3 Se 0.94639957128720 0.28197097510252 0.71802902489748 78.960 4 Se 0.28197097510252 0.94639957128721 0.05360042871280 78.960 *5 Cs 0.64598180740156 0.64598180740156 0.35401819259844 132.905 6 Cs 0.35401819259843 0.35401819259843 0.64598180740157 132.905 *7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 *8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.626948940000002 0.000000000000000 0.000000000000000 b 0.000000000000000 11.332868700000002 0.000000000000000 c 0.000000000000000 0.000000000000000 13.686440169999999 Atomic positions (fractional): *1 Se 0.00000000000000 0.66778570190766 0.38581472680514 78.960 > 1 2 Se 0.00000000000000 0.33221429809234 0.38581472680514 78.960 > 2 3 Se 0.50000000000000 0.33221429809234 0.11418527319486 78.960 > 3 4 Se 0.50000000000000 0.66778570190766 0.11418527319486 78.960 > 4 5 Se 0.00000000000000 0.16778570190766 0.88581472680514 78.960 > 1 6 Se 0.00000000000000 0.83221429809234 0.88581472680514 78.960 > 2 7 Se 0.50000000000000 0.83221429809234 0.61418527319486 78.960 > 3 8 Se 0.50000000000000 0.16778570190766 0.61418527319486 78.960 > 4 9 Se 0.50000000000000 0.66778570190766 0.88581472680514 78.960 > 1 10 Se 0.50000000000000 0.33221429809234 0.88581472680514 78.960 > 2 11 Se 0.00000000000000 0.33221429809234 0.61418527319486 78.960 > 3 12 Se 0.00000000000000 0.66778570190766 0.61418527319486 78.960 > 4 13 Se 0.50000000000000 0.16778570190766 0.38581472680514 78.960 > 1 14 Se 0.50000000000000 0.83221429809234 0.38581472680514 78.960 > 2 15 Se 0.00000000000000 0.83221429809234 0.11418527319486 78.960 > 3 16 Se 0.00000000000000 0.16778570190766 0.11418527319486 78.960 > 4 *17 Cs 0.50000000000000 0.00000000000000 0.14598180740156 132.905 > 5 18 Cs 0.00000000000000 0.00000000000000 0.35401819259843 132.905 > 6 19 Cs 0.50000000000000 0.50000000000000 0.64598180740156 132.905 > 5 20 Cs 0.00000000000000 0.50000000000000 0.85401819259844 132.905 > 6 21 Cs 0.00000000000000 0.00000000000000 0.64598180740156 132.905 > 5 22 Cs 0.50000000000000 0.00000000000000 0.85401819259844 132.905 > 6 23 Cs 0.00000000000000 0.50000000000000 0.14598180740156 132.905 > 5 24 Cs 0.50000000000000 0.50000000000000 0.35401819259843 132.905 > 6 *25 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 7 *26 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 27 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 9 28 Pt 0.75000000000000 0.75000000000000 0.50000000000000 195.084 > 7 29 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 8 30 Pt 0.75000000000000 0.25000000000000 0.50000000000000 195.084 > 9 31 Pt 0.25000000000000 0.25000000000000 0.50000000000000 195.084 > 7 32 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 8 33 Pt 0.25000000000000 0.75000000000000 0.50000000000000 195.084 > 9 34 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 7 35 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 8 36 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 9 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.253897880000004 0.000000000000000 0.000000000000000 b 0.000000000000000 22.665737400000005 0.000000000000000 c 0.000000000000000 0.000000000000000 13.686440169999999 Atomic positions (fractional): *1 Se 0.00000000000000 0.33389285095383 0.38581472680514 78.960 > 1 2 Se 0.50000000000000 0.33389285095383 0.38581472680514 78.960 > 1 3 Se 0.00000000000000 0.83389285095383 0.38581472680514 78.960 > 1 4 Se 0.50000000000000 0.83389285095383 0.38581472680514 78.960 > 1 5 Se 0.00000000000000 0.16610714904617 0.38581472680514 78.960 > 2 6 Se 0.50000000000000 0.16610714904617 0.38581472680514 78.960 > 2 7 Se 0.00000000000000 0.66610714904617 0.38581472680514 78.960 > 2 8 Se 0.50000000000000 0.66610714904617 0.38581472680514 78.960 > 2 9 Se 0.25000000000000 0.16610714904617 0.11418527319486 78.960 > 3 10 Se 0.75000000000000 0.16610714904617 0.11418527319486 78.960 > 3 11 Se 0.25000000000000 0.66610714904617 0.11418527319486 78.960 > 3 12 Se 0.75000000000000 0.66610714904617 0.11418527319486 78.960 > 3 13 Se 0.25000000000000 0.33389285095383 0.11418527319486 78.960 > 4 14 Se 0.75000000000000 0.33389285095383 0.11418527319486 78.960 > 4 15 Se 0.25000000000000 0.83389285095383 0.11418527319486 78.960 > 4 16 Se 0.75000000000000 0.83389285095383 0.11418527319486 78.960 > 4 17 Se 0.00000000000000 0.08389285095383 0.88581472680514 78.960 > 1 18 Se 0.50000000000000 0.08389285095383 0.88581472680514 78.960 > 1 19 Se 0.00000000000000 0.58389285095383 0.88581472680514 78.960 > 1 20 Se 0.50000000000000 0.58389285095383 0.88581472680514 78.960 > 1 21 Se 0.00000000000000 0.41610714904617 0.88581472680514 78.960 > 2 22 Se 0.50000000000000 0.41610714904617 0.88581472680514 78.960 > 2 23 Se 0.00000000000000 0.91610714904617 0.88581472680514 78.960 > 2 24 Se 0.50000000000000 0.91610714904617 0.88581472680514 78.960 > 2 25 Se 0.25000000000000 0.41610714904617 0.61418527319486 78.960 > 3 26 Se 0.75000000000000 0.41610714904617 0.61418527319486 78.960 > 3 27 Se 0.25000000000000 0.91610714904617 0.61418527319486 78.960 > 3 28 Se 0.75000000000000 0.91610714904617 0.61418527319486 78.960 > 3 29 Se 0.25000000000000 0.08389285095383 0.61418527319486 78.960 > 4 30 Se 0.75000000000000 0.08389285095383 0.61418527319486 78.960 > 4 31 Se 0.25000000000000 0.58389285095383 0.61418527319486 78.960 > 4 32 Se 0.75000000000000 0.58389285095383 0.61418527319486 78.960 > 4 33 Se 0.25000000000000 0.33389285095383 0.88581472680514 78.960 > 1 34 Se 0.75000000000000 0.33389285095383 0.88581472680514 78.960 > 1 35 Se 0.25000000000000 0.83389285095383 0.88581472680514 78.960 > 1 36 Se 0.75000000000000 0.83389285095383 0.88581472680514 78.960 > 1 37 Se 0.25000000000000 0.16610714904617 0.88581472680514 78.960 > 2 38 Se 0.75000000000000 0.16610714904617 0.88581472680514 78.960 > 2 39 Se 0.25000000000000 0.66610714904617 0.88581472680514 78.960 > 2 40 Se 0.75000000000000 0.66610714904617 0.88581472680514 78.960 > 2 41 Se 0.00000000000000 0.16610714904617 0.61418527319486 78.960 > 3 42 Se 0.50000000000000 0.16610714904617 0.61418527319486 78.960 > 3 43 Se 0.00000000000000 0.66610714904617 0.61418527319486 78.960 > 3 44 Se 0.50000000000000 0.66610714904617 0.61418527319486 78.960 > 3 45 Se 0.00000000000000 0.33389285095383 0.61418527319486 78.960 > 4 46 Se 0.50000000000000 0.33389285095383 0.61418527319486 78.960 > 4 47 Se 0.00000000000000 0.83389285095383 0.61418527319486 78.960 > 4 48 Se 0.50000000000000 0.83389285095383 0.61418527319486 78.960 > 4 49 Se 0.25000000000000 0.08389285095383 0.38581472680514 78.960 > 1 50 Se 0.75000000000000 0.08389285095383 0.38581472680514 78.960 > 1 51 Se 0.25000000000000 0.58389285095383 0.38581472680514 78.960 > 1 52 Se 0.75000000000000 0.58389285095383 0.38581472680514 78.960 > 1 53 Se 0.25000000000000 0.41610714904617 0.38581472680514 78.960 > 2 54 Se 0.75000000000000 0.41610714904617 0.38581472680514 78.960 > 2 55 Se 0.25000000000000 0.91610714904617 0.38581472680514 78.960 > 2 56 Se 0.75000000000000 0.91610714904617 0.38581472680514 78.960 > 2 57 Se 0.00000000000000 0.41610714904617 0.11418527319486 78.960 > 3 58 Se 0.50000000000000 0.41610714904617 0.11418527319486 78.960 > 3 59 Se 0.00000000000000 0.91610714904617 0.11418527319486 78.960 > 3 60 Se 0.50000000000000 0.91610714904617 0.11418527319486 78.960 > 3 61 Se 0.00000000000000 0.08389285095383 0.11418527319486 78.960 > 4 62 Se 0.50000000000000 0.08389285095383 0.11418527319486 78.960 > 4 63 Se 0.00000000000000 0.58389285095383 0.11418527319486 78.960 > 4 64 Se 0.50000000000000 0.58389285095383 0.11418527319486 78.960 > 4 *65 Cs 0.25000000000000 0.00000000000000 0.14598180740156 132.905 > 5 66 Cs 0.75000000000000 0.00000000000000 0.14598180740156 132.905 > 5 67 Cs 0.25000000000000 0.50000000000000 0.14598180740156 132.905 > 5 68 Cs 0.75000000000000 0.50000000000000 0.14598180740156 132.905 > 5 69 Cs 0.00000000000000 0.00000000000000 0.35401819259843 132.905 > 6 70 Cs 0.50000000000000 0.00000000000000 0.35401819259843 132.905 > 6 71 Cs 0.00000000000000 0.50000000000000 0.35401819259843 132.905 > 6 72 Cs 0.50000000000000 0.50000000000000 0.35401819259843 132.905 > 6 73 Cs 0.25000000000000 0.25000000000000 0.64598180740156 132.905 > 5 74 Cs 0.75000000000000 0.25000000000000 0.64598180740156 132.905 > 5 75 Cs 0.25000000000000 0.75000000000000 0.64598180740156 132.905 > 5 76 Cs 0.75000000000000 0.75000000000000 0.64598180740156 132.905 > 5 77 Cs 0.00000000000000 0.25000000000000 0.85401819259844 132.905 > 6 78 Cs 0.50000000000000 0.25000000000000 0.85401819259844 132.905 > 6 79 Cs 0.00000000000000 0.75000000000000 0.85401819259844 132.905 > 6 80 Cs 0.50000000000000 0.75000000000000 0.85401819259844 132.905 > 6 81 Cs 0.00000000000000 0.00000000000000 0.64598180740156 132.905 > 5 82 Cs 0.50000000000000 0.00000000000000 0.64598180740156 132.905 > 5 83 Cs 0.00000000000000 0.50000000000000 0.64598180740156 132.905 > 5 84 Cs 0.50000000000000 0.50000000000000 0.64598180740156 132.905 > 5 85 Cs 0.25000000000000 0.00000000000000 0.85401819259844 132.905 > 6 86 Cs 0.75000000000000 0.00000000000000 0.85401819259844 132.905 > 6 87 Cs 0.25000000000000 0.50000000000000 0.85401819259844 132.905 > 6 88 Cs 0.75000000000000 0.50000000000000 0.85401819259844 132.905 > 6 89 Cs 0.00000000000000 0.25000000000000 0.14598180740156 132.905 > 5 90 Cs 0.50000000000000 0.25000000000000 0.14598180740156 132.905 > 5 91 Cs 0.00000000000000 0.75000000000000 0.14598180740156 132.905 > 5 92 Cs 0.50000000000000 0.75000000000000 0.14598180740156 132.905 > 5 93 Cs 0.25000000000000 0.25000000000000 0.35401819259843 132.905 > 6 94 Cs 0.75000000000000 0.25000000000000 0.35401819259843 132.905 > 6 95 Cs 0.25000000000000 0.75000000000000 0.35401819259843 132.905 > 6 96 Cs 0.75000000000000 0.75000000000000 0.35401819259843 132.905 > 6 *97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 7 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 7 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 7 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 7 *101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 8 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 8 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 8 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 8 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 9 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 9 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 9 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 9 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 7 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 7 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 7 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 7 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 8 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 8 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 8 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 8 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 9 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 9 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 9 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 9 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 7 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 7 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 7 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 7 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 8 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 8 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 8 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 8 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 9 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 9 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 9 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 9 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 7 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 7 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 7 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 7 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 8 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 8 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 8 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 8 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 9 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 9 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 9 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 9 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0803914 0.0000000 0.0000000 0.0000000 8.2786996 0.0000000 0.0000000 0.0000000 5.2766343 -------------------------- Born effective charges -------------------------- 1 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 2 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 3 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 4 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 5 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 6 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 7 Pt 0.5816595 -0.8127847 0.0000000 -0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 8 Pt -0.7583703 0.0000000 0.0000000 0.0000000 1.0303255 0.0000000 0.0000000 0.0000000 0.3119287 9 Pt 0.5816595 0.8127847 0.0000000 0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 160 - Time: 0.406 Solver_block: 160 / 160 - Time: 0.289 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.720 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 7506/7506 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 904 Number of blocks in projector: 908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 3 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 165 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 128 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 100 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (904, 888), data: False |-- (1, 1), data: True |-- (100, 100), data: True |-- (128, 126), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (165, 161), data: True |-- (180, 178), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:30:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:30:15]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.666434350000001 6.843220085000000 b 3.313474470000001 0.000000000000000 6.843220085000000 c 3.313474470000001 5.666434350000001 0.000000000000000 Atomic positions (fractional): 1 Se 0.05360042871279 0.71802902489748 0.28197097510252 78.960 2 Se 0.71802902489748 0.05360042871280 0.94639957128720 78.960 3 Se 0.94639957128720 0.28197097510252 0.71802902489748 78.960 4 Se 0.28197097510252 0.94639957128721 0.05360042871280 78.960 5 Cs 0.64598180740156 0.64598180740156 0.35401819259844 132.905 6 Cs 0.35401819259843 0.35401819259843 0.64598180740157 132.905 7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.253897880000004 0.000000000000000 0.000000000000000 b 0.000000000000000 22.665737400000005 0.000000000000000 c 0.000000000000000 0.000000000000000 13.686440169999999 Atomic positions (fractional): 1 Se 0.00000000000000 0.33389285095383 0.38581472680514 78.960 > 1 2 Se 0.50000000000000 0.33389285095383 0.38581472680514 78.960 > 1 3 Se 0.00000000000000 0.83389285095383 0.38581472680514 78.960 > 1 4 Se 0.50000000000000 0.83389285095383 0.38581472680514 78.960 > 1 5 Se 0.00000000000000 0.16610714904617 0.38581472680514 78.960 > 5 6 Se 0.50000000000000 0.16610714904617 0.38581472680514 78.960 > 5 7 Se 0.00000000000000 0.66610714904617 0.38581472680514 78.960 > 5 8 Se 0.50000000000000 0.66610714904617 0.38581472680514 78.960 > 5 9 Se 0.25000000000000 0.16610714904617 0.11418527319486 78.960 > 9 10 Se 0.75000000000000 0.16610714904617 0.11418527319486 78.960 > 9 11 Se 0.25000000000000 0.66610714904617 0.11418527319486 78.960 > 9 12 Se 0.75000000000000 0.66610714904617 0.11418527319486 78.960 > 9 13 Se 0.25000000000000 0.33389285095383 0.11418527319486 78.960 > 13 14 Se 0.75000000000000 0.33389285095383 0.11418527319486 78.960 > 13 15 Se 0.25000000000000 0.83389285095383 0.11418527319486 78.960 > 13 16 Se 0.75000000000000 0.83389285095383 0.11418527319486 78.960 > 13 17 Se 0.00000000000000 0.08389285095383 0.88581472680514 78.960 > 1 18 Se 0.50000000000000 0.08389285095383 0.88581472680514 78.960 > 1 19 Se 0.00000000000000 0.58389285095383 0.88581472680514 78.960 > 1 20 Se 0.50000000000000 0.58389285095383 0.88581472680514 78.960 > 1 21 Se 0.00000000000000 0.41610714904617 0.88581472680514 78.960 > 5 22 Se 0.50000000000000 0.41610714904617 0.88581472680514 78.960 > 5 23 Se 0.00000000000000 0.91610714904617 0.88581472680514 78.960 > 5 24 Se 0.50000000000000 0.91610714904617 0.88581472680514 78.960 > 5 25 Se 0.25000000000000 0.41610714904617 0.61418527319486 78.960 > 9 26 Se 0.75000000000000 0.41610714904617 0.61418527319486 78.960 > 9 27 Se 0.25000000000000 0.91610714904617 0.61418527319486 78.960 > 9 28 Se 0.75000000000000 0.91610714904617 0.61418527319486 78.960 > 9 29 Se 0.25000000000000 0.08389285095383 0.61418527319486 78.960 > 13 30 Se 0.75000000000000 0.08389285095383 0.61418527319486 78.960 > 13 31 Se 0.25000000000000 0.58389285095383 0.61418527319486 78.960 > 13 32 Se 0.75000000000000 0.58389285095383 0.61418527319486 78.960 > 13 33 Se 0.25000000000000 0.33389285095383 0.88581472680514 78.960 > 1 34 Se 0.75000000000000 0.33389285095383 0.88581472680514 78.960 > 1 35 Se 0.25000000000000 0.83389285095383 0.88581472680514 78.960 > 1 36 Se 0.75000000000000 0.83389285095383 0.88581472680514 78.960 > 1 37 Se 0.25000000000000 0.16610714904617 0.88581472680514 78.960 > 5 38 Se 0.75000000000000 0.16610714904617 0.88581472680514 78.960 > 5 39 Se 0.25000000000000 0.66610714904617 0.88581472680514 78.960 > 5 40 Se 0.75000000000000 0.66610714904617 0.88581472680514 78.960 > 5 41 Se 0.00000000000000 0.16610714904617 0.61418527319486 78.960 > 9 42 Se 0.50000000000000 0.16610714904617 0.61418527319486 78.960 > 9 43 Se 0.00000000000000 0.66610714904617 0.61418527319486 78.960 > 9 44 Se 0.50000000000000 0.66610714904617 0.61418527319486 78.960 > 9 45 Se 0.00000000000000 0.33389285095383 0.61418527319486 78.960 > 13 46 Se 0.50000000000000 0.33389285095383 0.61418527319486 78.960 > 13 47 Se 0.00000000000000 0.83389285095383 0.61418527319486 78.960 > 13 48 Se 0.50000000000000 0.83389285095383 0.61418527319486 78.960 > 13 49 Se 0.25000000000000 0.08389285095383 0.38581472680514 78.960 > 1 50 Se 0.75000000000000 0.08389285095383 0.38581472680514 78.960 > 1 51 Se 0.25000000000000 0.58389285095383 0.38581472680514 78.960 > 1 52 Se 0.75000000000000 0.58389285095383 0.38581472680514 78.960 > 1 53 Se 0.25000000000000 0.41610714904617 0.38581472680514 78.960 > 5 54 Se 0.75000000000000 0.41610714904617 0.38581472680514 78.960 > 5 55 Se 0.25000000000000 0.91610714904617 0.38581472680514 78.960 > 5 56 Se 0.75000000000000 0.91610714904617 0.38581472680514 78.960 > 5 57 Se 0.00000000000000 0.41610714904617 0.11418527319486 78.960 > 9 58 Se 0.50000000000000 0.41610714904617 0.11418527319486 78.960 > 9 59 Se 0.00000000000000 0.91610714904617 0.11418527319486 78.960 > 9 60 Se 0.50000000000000 0.91610714904617 0.11418527319486 78.960 > 9 61 Se 0.00000000000000 0.08389285095383 0.11418527319486 78.960 > 13 62 Se 0.50000000000000 0.08389285095383 0.11418527319486 78.960 > 13 63 Se 0.00000000000000 0.58389285095383 0.11418527319486 78.960 > 13 64 Se 0.50000000000000 0.58389285095383 0.11418527319486 78.960 > 13 65 Cs 0.25000000000000 0.00000000000000 0.14598180740156 132.905 > 65 66 Cs 0.75000000000000 0.00000000000000 0.14598180740156 132.905 > 65 67 Cs 0.25000000000000 0.50000000000000 0.14598180740156 132.905 > 65 68 Cs 0.75000000000000 0.50000000000000 0.14598180740156 132.905 > 65 69 Cs 0.00000000000000 0.00000000000000 0.35401819259843 132.905 > 69 70 Cs 0.50000000000000 0.00000000000000 0.35401819259843 132.905 > 69 71 Cs 0.00000000000000 0.50000000000000 0.35401819259843 132.905 > 69 72 Cs 0.50000000000000 0.50000000000000 0.35401819259843 132.905 > 69 73 Cs 0.25000000000000 0.25000000000000 0.64598180740156 132.905 > 65 74 Cs 0.75000000000000 0.25000000000000 0.64598180740156 132.905 > 65 75 Cs 0.25000000000000 0.75000000000000 0.64598180740156 132.905 > 65 76 Cs 0.75000000000000 0.75000000000000 0.64598180740156 132.905 > 65 77 Cs 0.00000000000000 0.25000000000000 0.85401819259844 132.905 > 69 78 Cs 0.50000000000000 0.25000000000000 0.85401819259844 132.905 > 69 79 Cs 0.00000000000000 0.75000000000000 0.85401819259844 132.905 > 69 80 Cs 0.50000000000000 0.75000000000000 0.85401819259844 132.905 > 69 81 Cs 0.00000000000000 0.00000000000000 0.64598180740156 132.905 > 65 82 Cs 0.50000000000000 0.00000000000000 0.64598180740156 132.905 > 65 83 Cs 0.00000000000000 0.50000000000000 0.64598180740156 132.905 > 65 84 Cs 0.50000000000000 0.50000000000000 0.64598180740156 132.905 > 65 85 Cs 0.25000000000000 0.00000000000000 0.85401819259844 132.905 > 69 86 Cs 0.75000000000000 0.00000000000000 0.85401819259844 132.905 > 69 87 Cs 0.25000000000000 0.50000000000000 0.85401819259844 132.905 > 69 88 Cs 0.75000000000000 0.50000000000000 0.85401819259844 132.905 > 69 89 Cs 0.00000000000000 0.25000000000000 0.14598180740156 132.905 > 65 90 Cs 0.50000000000000 0.25000000000000 0.14598180740156 132.905 > 65 91 Cs 0.00000000000000 0.75000000000000 0.14598180740156 132.905 > 65 92 Cs 0.50000000000000 0.75000000000000 0.14598180740156 132.905 > 65 93 Cs 0.25000000000000 0.25000000000000 0.35401819259843 132.905 > 69 94 Cs 0.75000000000000 0.25000000000000 0.35401819259843 132.905 > 69 95 Cs 0.25000000000000 0.75000000000000 0.35401819259843 132.905 > 69 96 Cs 0.75000000000000 0.75000000000000 0.35401819259843 132.905 > 69 97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 105 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 105 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 105 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 97 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 105 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 105 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 105 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 97 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 101 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 101 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 101 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 101 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 105 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 105 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 105 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 97 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 101 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 101 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 101 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 101 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 105 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 105 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 105 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.0803914 0.0000000 0.0000000 0.0000000 8.2786996 0.0000000 0.0000000 0.0000000 5.2766343 -------------------------- Born effective charges -------------------------- 1 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 2 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 3 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 4 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 5 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 6 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 7 Pt 0.5816595 -0.8127847 0.0000000 -0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 8 Pt -0.7583703 0.0000000 0.0000000 0.0000000 1.0303255 0.0000000 0.0000000 0.0000000 0.3119287 9 Pt 0.5816595 0.8127847 0.0000000 0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, 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 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 00:30:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:30:32]------------------------- Compiled with OpenMP support (max 48 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 2 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fmmm (69) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 5.666434350000001 6.843220085000000 b 3.313474470000001 0.000000000000000 6.843220085000000 c 3.313474470000001 5.666434350000001 0.000000000000000 Atomic positions (fractional): 1 Se 0.05360042871279 0.71802902489748 0.28197097510252 78.960 2 Se 0.71802902489748 0.05360042871280 0.94639957128720 78.960 3 Se 0.94639957128720 0.28197097510252 0.71802902489748 78.960 4 Se 0.28197097510252 0.94639957128721 0.05360042871280 78.960 5 Cs 0.64598180740156 0.64598180740156 0.35401819259844 132.905 6 Cs 0.35401819259843 0.35401819259843 0.64598180740157 132.905 7 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 8 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 9 Pt 0.00000000000000 0.00000000000000 0.50000000000000 195.084 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.253897880000004 0.000000000000000 0.000000000000000 b 0.000000000000000 22.665737400000005 0.000000000000000 c 0.000000000000000 0.000000000000000 13.686440169999999 Atomic positions (fractional): 1 Se 0.00000000000000 0.33389285095383 0.38581472680514 78.960 > 1 2 Se 0.50000000000000 0.33389285095383 0.38581472680514 78.960 > 1 3 Se 0.00000000000000 0.83389285095383 0.38581472680514 78.960 > 1 4 Se 0.50000000000000 0.83389285095383 0.38581472680514 78.960 > 1 5 Se 0.00000000000000 0.16610714904617 0.38581472680514 78.960 > 5 6 Se 0.50000000000000 0.16610714904617 0.38581472680514 78.960 > 5 7 Se 0.00000000000000 0.66610714904617 0.38581472680514 78.960 > 5 8 Se 0.50000000000000 0.66610714904617 0.38581472680514 78.960 > 5 9 Se 0.25000000000000 0.16610714904617 0.11418527319486 78.960 > 9 10 Se 0.75000000000000 0.16610714904617 0.11418527319486 78.960 > 9 11 Se 0.25000000000000 0.66610714904617 0.11418527319486 78.960 > 9 12 Se 0.75000000000000 0.66610714904617 0.11418527319486 78.960 > 9 13 Se 0.25000000000000 0.33389285095383 0.11418527319486 78.960 > 13 14 Se 0.75000000000000 0.33389285095383 0.11418527319486 78.960 > 13 15 Se 0.25000000000000 0.83389285095383 0.11418527319486 78.960 > 13 16 Se 0.75000000000000 0.83389285095383 0.11418527319486 78.960 > 13 17 Se 0.00000000000000 0.08389285095383 0.88581472680514 78.960 > 1 18 Se 0.50000000000000 0.08389285095383 0.88581472680514 78.960 > 1 19 Se 0.00000000000000 0.58389285095383 0.88581472680514 78.960 > 1 20 Se 0.50000000000000 0.58389285095383 0.88581472680514 78.960 > 1 21 Se 0.00000000000000 0.41610714904617 0.88581472680514 78.960 > 5 22 Se 0.50000000000000 0.41610714904617 0.88581472680514 78.960 > 5 23 Se 0.00000000000000 0.91610714904617 0.88581472680514 78.960 > 5 24 Se 0.50000000000000 0.91610714904617 0.88581472680514 78.960 > 5 25 Se 0.25000000000000 0.41610714904617 0.61418527319486 78.960 > 9 26 Se 0.75000000000000 0.41610714904617 0.61418527319486 78.960 > 9 27 Se 0.25000000000000 0.91610714904617 0.61418527319486 78.960 > 9 28 Se 0.75000000000000 0.91610714904617 0.61418527319486 78.960 > 9 29 Se 0.25000000000000 0.08389285095383 0.61418527319486 78.960 > 13 30 Se 0.75000000000000 0.08389285095383 0.61418527319486 78.960 > 13 31 Se 0.25000000000000 0.58389285095383 0.61418527319486 78.960 > 13 32 Se 0.75000000000000 0.58389285095383 0.61418527319486 78.960 > 13 33 Se 0.25000000000000 0.33389285095383 0.88581472680514 78.960 > 1 34 Se 0.75000000000000 0.33389285095383 0.88581472680514 78.960 > 1 35 Se 0.25000000000000 0.83389285095383 0.88581472680514 78.960 > 1 36 Se 0.75000000000000 0.83389285095383 0.88581472680514 78.960 > 1 37 Se 0.25000000000000 0.16610714904617 0.88581472680514 78.960 > 5 38 Se 0.75000000000000 0.16610714904617 0.88581472680514 78.960 > 5 39 Se 0.25000000000000 0.66610714904617 0.88581472680514 78.960 > 5 40 Se 0.75000000000000 0.66610714904617 0.88581472680514 78.960 > 5 41 Se 0.00000000000000 0.16610714904617 0.61418527319486 78.960 > 9 42 Se 0.50000000000000 0.16610714904617 0.61418527319486 78.960 > 9 43 Se 0.00000000000000 0.66610714904617 0.61418527319486 78.960 > 9 44 Se 0.50000000000000 0.66610714904617 0.61418527319486 78.960 > 9 45 Se 0.00000000000000 0.33389285095383 0.61418527319486 78.960 > 13 46 Se 0.50000000000000 0.33389285095383 0.61418527319486 78.960 > 13 47 Se 0.00000000000000 0.83389285095383 0.61418527319486 78.960 > 13 48 Se 0.50000000000000 0.83389285095383 0.61418527319486 78.960 > 13 49 Se 0.25000000000000 0.08389285095383 0.38581472680514 78.960 > 1 50 Se 0.75000000000000 0.08389285095383 0.38581472680514 78.960 > 1 51 Se 0.25000000000000 0.58389285095383 0.38581472680514 78.960 > 1 52 Se 0.75000000000000 0.58389285095383 0.38581472680514 78.960 > 1 53 Se 0.25000000000000 0.41610714904617 0.38581472680514 78.960 > 5 54 Se 0.75000000000000 0.41610714904617 0.38581472680514 78.960 > 5 55 Se 0.25000000000000 0.91610714904617 0.38581472680514 78.960 > 5 56 Se 0.75000000000000 0.91610714904617 0.38581472680514 78.960 > 5 57 Se 0.00000000000000 0.41610714904617 0.11418527319486 78.960 > 9 58 Se 0.50000000000000 0.41610714904617 0.11418527319486 78.960 > 9 59 Se 0.00000000000000 0.91610714904617 0.11418527319486 78.960 > 9 60 Se 0.50000000000000 0.91610714904617 0.11418527319486 78.960 > 9 61 Se 0.00000000000000 0.08389285095383 0.11418527319486 78.960 > 13 62 Se 0.50000000000000 0.08389285095383 0.11418527319486 78.960 > 13 63 Se 0.00000000000000 0.58389285095383 0.11418527319486 78.960 > 13 64 Se 0.50000000000000 0.58389285095383 0.11418527319486 78.960 > 13 65 Cs 0.25000000000000 0.00000000000000 0.14598180740156 132.905 > 65 66 Cs 0.75000000000000 0.00000000000000 0.14598180740156 132.905 > 65 67 Cs 0.25000000000000 0.50000000000000 0.14598180740156 132.905 > 65 68 Cs 0.75000000000000 0.50000000000000 0.14598180740156 132.905 > 65 69 Cs 0.00000000000000 0.00000000000000 0.35401819259843 132.905 > 69 70 Cs 0.50000000000000 0.00000000000000 0.35401819259843 132.905 > 69 71 Cs 0.00000000000000 0.50000000000000 0.35401819259843 132.905 > 69 72 Cs 0.50000000000000 0.50000000000000 0.35401819259843 132.905 > 69 73 Cs 0.25000000000000 0.25000000000000 0.64598180740156 132.905 > 65 74 Cs 0.75000000000000 0.25000000000000 0.64598180740156 132.905 > 65 75 Cs 0.25000000000000 0.75000000000000 0.64598180740156 132.905 > 65 76 Cs 0.75000000000000 0.75000000000000 0.64598180740156 132.905 > 65 77 Cs 0.00000000000000 0.25000000000000 0.85401819259844 132.905 > 69 78 Cs 0.50000000000000 0.25000000000000 0.85401819259844 132.905 > 69 79 Cs 0.00000000000000 0.75000000000000 0.85401819259844 132.905 > 69 80 Cs 0.50000000000000 0.75000000000000 0.85401819259844 132.905 > 69 81 Cs 0.00000000000000 0.00000000000000 0.64598180740156 132.905 > 65 82 Cs 0.50000000000000 0.00000000000000 0.64598180740156 132.905 > 65 83 Cs 0.00000000000000 0.50000000000000 0.64598180740156 132.905 > 65 84 Cs 0.50000000000000 0.50000000000000 0.64598180740156 132.905 > 65 85 Cs 0.25000000000000 0.00000000000000 0.85401819259844 132.905 > 69 86 Cs 0.75000000000000 0.00000000000000 0.85401819259844 132.905 > 69 87 Cs 0.25000000000000 0.50000000000000 0.85401819259844 132.905 > 69 88 Cs 0.75000000000000 0.50000000000000 0.85401819259844 132.905 > 69 89 Cs 0.00000000000000 0.25000000000000 0.14598180740156 132.905 > 65 90 Cs 0.50000000000000 0.25000000000000 0.14598180740156 132.905 > 65 91 Cs 0.00000000000000 0.75000000000000 0.14598180740156 132.905 > 65 92 Cs 0.50000000000000 0.75000000000000 0.14598180740156 132.905 > 65 93 Cs 0.25000000000000 0.25000000000000 0.35401819259843 132.905 > 69 94 Cs 0.75000000000000 0.25000000000000 0.35401819259843 132.905 > 69 95 Cs 0.25000000000000 0.75000000000000 0.35401819259843 132.905 > 69 96 Cs 0.75000000000000 0.75000000000000 0.35401819259843 132.905 > 69 97 Pt 0.37500000000000 0.12500000000000 0.00000000000000 195.084 > 97 98 Pt 0.87500000000000 0.12500000000000 0.00000000000000 195.084 > 97 99 Pt 0.37500000000000 0.62500000000000 0.00000000000000 195.084 > 97 100 Pt 0.87500000000000 0.62500000000000 0.00000000000000 195.084 > 97 101 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 101 102 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 101 103 Pt 0.00000000000000 0.50000000000000 0.00000000000000 195.084 > 101 104 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 101 105 Pt 0.37500000000000 0.37500000000000 0.00000000000000 195.084 > 105 106 Pt 0.87500000000000 0.37500000000000 0.00000000000000 195.084 > 105 107 Pt 0.37500000000000 0.87500000000000 0.00000000000000 195.084 > 105 108 Pt 0.87500000000000 0.87500000000000 0.00000000000000 195.084 > 105 109 Pt 0.37500000000000 0.37500000000000 0.50000000000000 195.084 > 97 110 Pt 0.87500000000000 0.37500000000000 0.50000000000000 195.084 > 97 111 Pt 0.37500000000000 0.87500000000000 0.50000000000000 195.084 > 97 112 Pt 0.87500000000000 0.87500000000000 0.50000000000000 195.084 > 97 113 Pt 0.00000000000000 0.25000000000000 0.50000000000000 195.084 > 101 114 Pt 0.50000000000000 0.25000000000000 0.50000000000000 195.084 > 101 115 Pt 0.00000000000000 0.75000000000000 0.50000000000000 195.084 > 101 116 Pt 0.50000000000000 0.75000000000000 0.50000000000000 195.084 > 101 117 Pt 0.37500000000000 0.12500000000000 0.50000000000000 195.084 > 105 118 Pt 0.87500000000000 0.12500000000000 0.50000000000000 195.084 > 105 119 Pt 0.37500000000000 0.62500000000000 0.50000000000000 195.084 > 105 120 Pt 0.87500000000000 0.62500000000000 0.50000000000000 195.084 > 105 121 Pt 0.12500000000000 0.12500000000000 0.50000000000000 195.084 > 97 122 Pt 0.62500000000000 0.12500000000000 0.50000000000000 195.084 > 97 123 Pt 0.12500000000000 0.62500000000000 0.50000000000000 195.084 > 97 124 Pt 0.62500000000000 0.62500000000000 0.50000000000000 195.084 > 97 125 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 101 126 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 101 127 Pt 0.25000000000000 0.50000000000000 0.50000000000000 195.084 > 101 128 Pt 0.75000000000000 0.50000000000000 0.50000000000000 195.084 > 101 129 Pt 0.12500000000000 0.37500000000000 0.50000000000000 195.084 > 105 130 Pt 0.62500000000000 0.37500000000000 0.50000000000000 195.084 > 105 131 Pt 0.12500000000000 0.87500000000000 0.50000000000000 195.084 > 105 132 Pt 0.62500000000000 0.87500000000000 0.50000000000000 195.084 > 105 133 Pt 0.12500000000000 0.37500000000000 0.00000000000000 195.084 > 97 134 Pt 0.62500000000000 0.37500000000000 0.00000000000000 195.084 > 97 135 Pt 0.12500000000000 0.87500000000000 0.00000000000000 195.084 > 97 136 Pt 0.62500000000000 0.87500000000000 0.00000000000000 195.084 > 97 137 Pt 0.25000000000000 0.25000000000000 0.00000000000000 195.084 > 101 138 Pt 0.75000000000000 0.25000000000000 0.00000000000000 195.084 > 101 139 Pt 0.25000000000000 0.75000000000000 0.00000000000000 195.084 > 101 140 Pt 0.75000000000000 0.75000000000000 0.00000000000000 195.084 > 101 141 Pt 0.12500000000000 0.12500000000000 0.00000000000000 195.084 > 105 142 Pt 0.62500000000000 0.12500000000000 0.00000000000000 195.084 > 105 143 Pt 0.12500000000000 0.62500000000000 0.00000000000000 195.084 > 105 144 Pt 0.62500000000000 0.62500000000000 0.00000000000000 195.084 > 105 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.0803914 0.0000000 0.0000000 0.0000000 8.2786996 0.0000000 0.0000000 0.0000000 5.2766343 -------------------------- Born effective charges -------------------------- 1 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 2 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 3 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 -0.1241787 0.0000000 -0.0289203 -0.9157754 4 Se -0.8550074 0.0000000 0.0000000 0.0000000 -0.9366590 0.1241787 0.0000000 0.0289203 -0.9157754 5 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 6 Cs 1.5075405 0.0000000 0.0000000 0.0000000 1.7097334 0.0000000 0.0000000 0.0000000 1.3155228 7 Pt 0.5816595 -0.8127847 0.0000000 -0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 8 Pt -0.7583703 0.0000000 0.0000000 0.0000000 1.0303255 0.0000000 0.0000000 0.0000000 0.3119287 9 Pt 0.5816595 0.8127847 0.0000000 0.8774237 -0.3515781 0.0000000 0.0000000 0.0000000 0.3600636 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 9 ] 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: 0.65, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 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 1.380 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.870 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.833 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.914 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.183 ( -4.231 5.982 7.673) 10.610 0.232 ( -9.313 5.383 3.254) 11.239 0.512 ( -21.053 14.089 1.603) 25.383 1.352 ( 3.218 -2.743 3.039) 5.208 1.396 ( 1.869 1.342 1.159) 2.576 1.520 ( -2.933 -1.099 -5.124) 6.005 1.627 ( -2.661 -7.455 2.903) 8.431 1.747 ( -2.400 0.702 0.136) 2.505 1.853 ( 6.942 6.875 -1.559) 9.893 1.929 ( 0.027 0.504 -1.534) 1.615 2.351 ( 3.973 -4.644 0.642) 6.145 2.434 ( 4.983 0.043 -0.041) 4.984 2.689 ( 1.943 -3.313 0.043) 3.841 2.740 ( 2.850 0.400 0.043) 2.878 3.726 ( 7.445 -2.905 0.124) 7.992 4.883 ( -1.022 0.910 -0.014) 1.369 4.908 ( -3.750 1.620 0.074) 4.085 5.510 ( -2.052 0.836 -0.143) 2.221 5.564 ( -6.538 3.701 -0.104) 7.513 5.617 ( 0.748 -0.636 0.179) 0.998 5.630 ( -0.165 0.638 0.190) 0.686 5.863 ( -1.068 0.350 2.276) 2.539 6.052 ( -0.613 0.428 -0.081) 0.752 6.372 ( 0.875 1.720 0.054) 1.931 6.477 ( -0.500 -1.259 -1.213) 1.818 6.917 ( -0.070 0.317 0.238) 0.402 7.145 ( 0.844 -0.515 -0.352) 1.050 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -8.502 6.533 3.772) 11.366 0.472 ( -9.624 5.907 3.124) 11.716 0.993 ( -18.816 12.611 0.004) 22.651 1.311 ( 1.768 -0.832 4.179) 4.614 1.393 ( 0.093 -0.037 0.201) 0.224 1.493 ( -0.794 -1.531 -5.000) 5.288 1.612 ( 1.120 -2.420 1.504) 3.062 1.773 ( 3.886 -1.052 -0.475) 4.054 1.821 ( -3.058 3.553 -0.248) 4.694 1.911 ( 0.429 -0.613 -1.761) 1.913 2.165 ( 10.519 -8.262 0.573) 13.388 2.354 ( 4.994 0.442 0.522) 5.041 2.579 ( 5.281 -5.808 0.062) 7.850 2.687 ( 4.460 0.172 0.067) 4.464 3.535 ( 10.314 -3.905 0.151) 11.029 4.918 ( -1.599 1.451 -0.033) 2.159 5.015 ( -6.055 2.738 -0.007) 6.645 5.563 ( -2.874 1.338 -0.220) 3.178 5.587 ( 1.801 -1.108 0.200) 2.124 5.645 ( -0.491 0.605 0.286) 0.830 5.749 ( -9.450 5.154 -0.027) 10.764 5.917 ( -2.571 1.068 1.150) 3.012 6.069 ( -0.705 0.595 -0.053) 0.925 6.375 ( 0.369 0.717 0.145) 0.819 6.454 ( 1.128 -1.069 -0.544) 1.647 6.928 ( -0.327 0.578 0.518) 0.842 7.114 ( 1.522 -0.862 -0.713) 1.889 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( -11.972 6.854 0.789) 13.818 0.718 ( -9.980 6.208 2.405) 11.996 1.244 ( -1.671 2.175 0.454) 2.780 1.381 ( -0.611 -0.303 -0.696) 0.974 1.415 ( -0.939 0.166 0.564) 1.108 1.504 ( -5.398 3.783 -0.504) 6.611 1.576 ( -2.165 0.460 -0.299) 2.234 1.701 ( 1.249 -0.706 -0.754) 1.621 1.841 ( 9.042 -6.166 -0.356) 10.950 1.911 ( 5.726 -1.533 0.651) 5.964 1.933 ( -6.316 1.495 -0.172) 6.492 2.284 ( 3.914 -0.129 0.713) 3.981 2.416 ( 6.558 -6.548 0.016) 9.267 2.570 ( 9.111 -1.854 -0.085) 9.298 3.343 ( 7.832 -2.878 0.095) 8.345 4.958 ( -1.506 1.252 -0.043) 1.959 5.152 ( -6.383 3.279 -0.152) 7.178 5.532 ( 2.965 -1.854 0.199) 3.503 5.624 ( -2.498 1.240 -0.120) 2.791 5.659 ( -0.399 0.328 0.227) 0.564 5.958 ( -9.104 4.790 0.080) 10.287 5.981 ( -2.743 1.110 0.541) 3.008 6.082 ( -0.227 0.411 0.068) 0.475 6.372 ( 0.640 -0.375 -0.026) 0.743 6.409 ( 2.317 -0.824 -0.271) 2.474 6.948 ( -0.720 0.740 0.734) 1.267 7.069 ( 1.811 -0.944 -0.941) 2.249 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -5.270 3.171 0.766) 6.197 0.982 ( -11.270 6.033 -0.115) 12.784 1.263 ( 0.761 0.040 1.075) 1.318 1.364 ( 0.116 -0.419 -0.786) 0.898 1.398 ( 1.634 -2.115 1.278) 2.963 1.454 ( 3.361 -0.476 -1.879) 3.880 1.549 ( 8.568 -4.896 -0.303) 9.873 1.641 ( 1.470 -1.174 0.613) 1.978 1.791 ( -2.613 1.613 -1.707) 3.514 2.011 ( -10.459 9.187 2.116) 14.081 2.071 ( -8.929 0.218 -0.015) 8.932 2.236 ( 2.935 -2.678 0.364) 3.989 2.246 ( 4.910 -3.976 -0.026) 6.318 2.339 ( 14.191 -3.591 -0.665) 14.654 3.237 ( 2.561 -0.917 0.030) 2.721 4.986 ( -0.624 0.489 -0.020) 0.792 5.274 ( -4.162 2.385 -0.170) 4.799 5.461 ( 2.869 -1.815 0.176) 3.400 5.662 ( -0.930 0.552 -0.033) 1.082 5.667 ( -0.179 0.026 0.070) 0.194 6.030 ( -1.522 0.560 0.115) 1.626 6.081 ( 0.257 0.151 0.063) 0.305 6.134 ( -5.926 2.959 0.206) 6.627 6.317 ( 3.408 -1.922 -0.290) 3.923 6.387 ( 0.331 0.163 0.030) 0.370 6.977 ( -1.017 0.683 0.750) 1.436 7.024 ( 1.463 -0.753 -0.843) 1.849 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.115 ( 0.000 0.000 6.899) 6.899 0.157 ( 0.000 0.000 9.370) 9.370 0.265 ( 0.000 0.000 15.750) 15.750 1.384 ( 0.000 0.000 0.540) 0.540 1.434 ( -0.000 -0.000 -4.904) 4.904 1.579 ( 0.000 0.000 3.732) 3.732 1.697 ( -0.000 -0.000 -3.364) 3.364 1.724 ( 0.000 0.000 0.164) 0.164 1.728 ( -0.000 -0.000 -1.180) 1.180 1.934 ( 0.000 0.000 0.533) 0.533 2.412 ( 0.000 0.000 1.057) 1.057 2.482 ( -0.000 -0.000 -0.350) 0.350 2.715 ( 0.000 0.000 0.097) 0.097 2.768 ( 0.000 0.000 0.101) 0.101 3.809 ( 0.000 0.000 0.278) 0.278 4.866 ( 0.000 0.000 0.016) 0.016 4.870 ( -0.000 -0.000 -0.034) 0.034 5.485 ( -0.000 -0.000 -0.094) 0.094 5.486 ( -0.000 -0.000 -0.340) 0.340 5.628 ( 0.000 0.000 0.560) 0.560 5.629 ( 0.000 0.000 0.019) 0.019 5.938 ( -0.000 -0.000 -0.052) 0.052 6.043 ( -0.000 -0.000 -0.183) 0.183 6.364 ( 0.000 0.000 0.364) 0.364 6.429 ( 0.000 0.000 0.223) 0.223 6.918 ( 0.000 0.000 0.434) 0.434 7.153 ( -0.000 -0.000 -0.339) 0.339 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( -7.693 1.920 5.975) 9.929 0.347 ( -2.943 2.338 9.717) 10.418 0.563 ( -16.510 13.097 4.449) 21.538 1.384 ( 0.272 -1.158 0.479) 1.282 1.427 ( -2.218 0.497 -4.568) 5.102 1.450 ( 6.529 -2.283 3.578) 7.787 1.657 ( -0.996 -4.193 0.646) 4.358 1.750 ( -2.034 1.544 -0.000) 2.554 1.797 ( 1.091 4.274 -4.669) 6.424 1.917 ( 1.218 -0.787 0.336) 1.488 2.367 ( 4.426 -5.077 1.026) 6.813 2.432 ( 4.374 0.250 -0.080) 4.382 2.690 ( 1.938 -3.303 0.123) 3.831 2.741 ( 2.835 0.367 0.121) 2.861 3.729 ( 7.447 -3.011 0.317) 8.039 4.882 ( -1.014 0.918 -0.035) 1.368 4.909 ( -3.737 1.661 0.014) 4.090 5.506 ( -1.993 1.008 -0.320) 2.256 5.562 ( -6.632 3.522 -0.158) 7.511 5.620 ( 0.941 -0.363 0.172) 1.023 5.637 ( -0.374 0.301 0.567) 0.743 5.905 ( 0.397 -0.510 2.177) 2.271 6.050 ( -0.643 0.490 -0.176) 0.827 6.374 ( 0.411 1.172 0.187) 1.256 6.455 ( -1.175 -0.370 -1.064) 1.628 6.924 ( -0.172 0.235 0.628) 0.693 7.137 ( 1.051 -0.579 -0.624) 1.353 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( -5.583 2.601 5.397) 8.190 0.535 ( -8.578 4.417 4.205) 10.525 0.998 ( -16.328 11.945 0.467) 20.236 1.373 ( -1.215 -0.564 -1.089) 1.727 1.397 ( 1.449 -0.953 3.162) 3.606 1.427 ( -0.025 0.880 -1.681) 1.897 1.619 ( 2.294 -1.816 -0.516) 2.971 1.745 ( 2.815 0.165 -2.924) 4.062 1.822 ( -4.357 1.663 0.211) 4.668 1.893 ( 0.591 -1.115 0.073) 1.264 2.173 ( 10.593 -8.188 0.366) 13.393 2.364 ( 4.352 -0.211 0.506) 4.387 2.581 ( 5.297 -5.873 0.107) 7.910 2.689 ( 4.494 0.120 0.125) 4.498 3.538 ( 10.291 -4.139 0.231) 11.095 4.917 ( -1.597 1.442 -0.047) 2.152 5.014 ( -5.941 2.744 -0.091) 6.545 5.559 ( -2.820 1.522 -0.236) 3.213 5.591 ( 1.802 -1.008 0.214) 2.076 5.651 ( -0.511 0.350 0.427) 0.752 5.749 ( -9.566 5.103 -0.033) 10.842 5.937 ( -1.912 0.654 1.247) 2.375 6.068 ( -0.760 0.717 -0.048) 1.046 6.378 ( 0.214 0.305 0.167) 0.408 6.444 ( 0.940 -0.717 -0.631) 1.340 6.939 ( -0.509 0.369 0.794) 1.013 7.100 ( 1.690 -0.837 -0.939) 2.107 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -11.144 4.691 1.691) 12.208 0.755 ( -8.996 4.597 2.114) 10.322 1.249 ( -2.770 3.209 0.032) 4.239 1.368 ( -0.719 -0.285 -0.726) 1.061 1.422 ( 0.357 0.214 0.328) 0.530 1.502 ( -2.185 2.683 0.198) 3.466 1.560 ( -3.813 1.316 -1.424) 4.278 1.682 ( 1.134 -0.302 -1.536) 1.933 1.850 ( 8.758 -7.243 1.242) 11.432 1.921 ( 1.701 -2.618 0.543) 3.169 1.933 ( -4.249 3.171 0.234) 5.307 2.293 ( 3.505 -0.931 0.256) 3.635 2.417 ( 6.528 -6.753 0.047) 9.392 2.570 ( 9.387 -1.942 -0.015) 9.586 3.344 ( 7.729 -3.217 0.108) 8.373 4.957 ( -1.512 1.262 -0.044) 1.970 5.149 ( -6.339 3.243 -0.207) 7.123 5.536 ( 2.953 -1.863 0.238) 3.500 5.622 ( -2.459 1.460 -0.124) 2.863 5.663 ( -0.303 0.202 0.232) 0.432 5.960 ( -9.243 4.776 0.115) 10.405 5.990 ( -2.332 0.835 0.520) 2.531 6.084 ( -0.244 0.543 0.084) 0.601 6.371 ( 0.785 -0.950 -0.118) 1.238 6.405 ( 2.014 -0.425 -0.253) 2.074 6.961 ( -0.917 0.422 0.833) 1.309 7.053 ( 1.834 -0.860 -1.004) 2.261 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -4.539 1.886 1.151) 5.048 0.977 ( -11.475 4.582 -0.556) 12.368 1.254 ( 0.620 -0.179 -1.600) 1.725 1.380 ( 0.818 -0.195 1.990) 2.160 1.420 ( 4.258 -2.040 0.320) 4.732 1.438 ( -0.165 0.739 1.198) 1.417 1.542 ( 7.656 -5.348 -0.486) 9.351 1.629 ( 2.017 -0.945 -1.913) 2.936 1.765 ( -4.474 2.645 -1.346) 5.369 2.050 ( -7.811 8.937 2.428) 12.116 2.071 ( -10.274 -0.855 0.083) 10.310 2.240 ( 3.086 -3.924 0.061) 4.992 2.244 ( 3.968 -4.376 -0.313) 5.915 2.330 ( 15.220 -3.360 -0.423) 15.592 3.237 ( 2.407 -1.282 0.026) 2.728 4.985 ( -0.637 0.524 -0.014) 0.825 5.271 ( -4.358 2.345 -0.166) 4.951 5.464 ( 3.000 -1.903 0.158) 3.556 5.662 ( -0.913 0.735 -0.024) 1.172 5.668 ( -0.014 0.038 0.056) 0.069 6.032 ( -1.341 0.404 0.077) 1.403 6.083 ( 0.430 0.198 0.139) 0.494 6.137 ( -5.937 2.894 0.134) 6.607 6.312 ( 3.249 -1.753 -0.308) 3.704 6.387 ( 0.220 -0.081 0.027) 0.236 6.988 ( -0.602 0.082 0.492) 0.781 7.012 ( 0.758 -0.396 -0.542) 1.013 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 5.578 -4.138 -0.289) 6.951 0.982 ( 11.224 -7.448 -0.125) 13.471 1.234 ( -0.674 0.012 -1.712) 1.840 1.381 ( -0.808 1.774 -0.458) 2.002 1.394 ( -1.438 1.595 1.624) 2.692 1.494 ( -2.528 0.479 3.009) 3.959 1.552 ( -9.138 4.458 0.069) 10.168 1.611 ( -1.329 1.279 -2.842) 3.388 1.815 ( 0.313 -0.323 1.085) 1.174 1.986 ( 11.913 -10.094 -0.908) 15.641 2.072 ( 8.700 -0.376 0.011) 8.708 2.229 ( -2.118 0.020 -0.406) 2.157 2.246 ( -6.051 5.066 -0.031) 7.892 2.349 ( -13.502 3.778 0.482) 14.029 3.236 ( -2.698 0.594 -0.020) 2.763 4.986 ( 0.612 -0.456 0.016) 0.763 5.277 ( 3.982 -2.428 0.100) 4.665 5.458 ( -2.747 1.744 -0.113) 3.256 5.663 ( 0.962 -0.349 0.043) 1.024 5.666 ( 0.312 -0.061 -0.067) 0.325 6.028 ( 1.681 -0.706 -0.094) 1.825 6.081 ( -0.174 -0.023 0.020) 0.176 6.131 ( 6.007 -3.102 -0.172) 6.763 6.321 ( -3.571 2.076 0.158) 4.134 6.386 ( -0.416 -0.378 -0.021) 0.563 6.966 ( 1.015 -1.002 -0.503) 1.513 7.036 ( -1.724 0.858 0.586) 2.013 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 12.886 -8.662 0.547) 15.536 0.682 ( 10.189 -7.022 -1.772) 12.500 1.237 ( -0.778 -0.027 -0.248) 0.817 1.390 ( 1.684 -0.126 0.409) 1.737 1.406 ( 8.067 -4.327 -0.463) 9.165 1.514 ( 1.972 -1.165 0.588) 2.365 1.571 ( -0.161 0.491 -0.536) 0.745 1.710 ( -0.010 0.285 0.319) 0.428 1.855 ( -12.896 7.876 0.886) 15.137 1.900 ( -3.220 -1.289 -0.593) 3.519 1.936 ( 6.141 -0.522 0.124) 6.164 2.274 ( -4.262 -0.426 -0.412) 4.303 2.416 ( -6.592 6.384 -0.002) 9.177 2.572 ( -8.891 1.802 0.051) 9.072 3.341 ( -7.900 2.655 -0.037) 8.335 4.959 ( 1.503 -1.243 0.018) 1.950 5.153 ( 6.422 -3.314 0.052) 7.227 5.530 ( -2.977 1.853 -0.077) 3.508 5.626 ( 2.542 -1.080 0.053) 2.763 5.657 ( 0.446 -0.435 -0.098) 0.631 5.958 ( 9.041 -4.794 -0.023) 10.234 5.974 ( 3.073 -1.326 -0.241) 3.355 6.082 ( 0.194 -0.317 -0.025) 0.372 6.372 ( -0.593 -0.017 -0.007) 0.593 6.413 ( -2.491 1.101 0.116) 2.726 6.939 ( 0.600 -0.949 -0.289) 1.159 7.080 ( -1.830 1.013 0.387) 2.127 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 10.214 -8.923 0.000) 13.563 0.445 ( 9.992 -6.434 0.000) 11.884 0.995 ( 20.491 -12.997 0.000) 24.265 1.273 ( -2.479 0.995 -0.000) 2.671 1.391 ( 0.074 0.007 -0.000) 0.074 1.563 ( -0.785 4.576 -0.000) 4.643 1.573 ( 0.791 0.452 -0.000) 0.911 1.774 ( -3.400 1.157 0.000) 3.592 1.825 ( 1.844 -4.270 0.000) 4.651 1.929 ( -0.686 0.496 -0.000) 0.846 2.159 ( -10.508 8.372 -0.000) 13.436 2.350 ( -5.310 -0.682 0.000) 5.354 2.579 ( -5.275 5.778 -0.000) 7.824 2.687 ( -4.439 -0.192 0.000) 4.443 3.534 ( -10.323 3.812 -0.000) 11.004 4.918 ( 1.601 -1.453 0.000) 2.162 5.015 ( 6.118 -2.746 0.000) 6.706 5.565 ( 2.986 -1.298 0.000) 3.257 5.586 ( -1.881 1.180 -0.000) 2.220 5.642 ( 0.464 -0.718 0.000) 0.855 5.749 ( 9.410 -5.171 0.000) 10.737 5.906 ( 3.028 -1.335 0.000) 3.309 6.069 ( 0.682 -0.543 0.000) 0.872 6.374 ( -0.430 -0.880 0.000) 0.980 6.459 ( -1.305 1.251 -0.000) 1.808 6.923 ( 0.256 -0.653 0.000) 0.702 7.120 ( -1.485 0.885 -0.000) 1.728 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.221 ( 0.000 0.000 5.999) 5.999 0.299 ( 0.000 0.000 7.894) 7.894 0.501 ( 0.000 0.000 12.993) 12.993 1.356 ( -0.000 -0.000 -4.646) 4.646 1.397 ( 0.000 0.000 0.956) 0.956 1.628 ( -0.000 -0.000 -4.715) 4.715 1.631 ( 0.000 0.000 2.629) 2.629 1.702 ( -0.000 -0.000 -2.018) 2.018 1.728 ( 0.000 0.000 0.340) 0.340 1.946 ( 0.000 0.000 0.764) 0.764 2.431 ( 0.000 0.000 1.149) 1.149 2.475 ( -0.000 -0.000 -0.538) 0.538 2.717 ( 0.000 0.000 0.148) 0.148 2.770 ( 0.000 0.000 0.150) 0.150 3.815 ( 0.000 0.000 0.426) 0.426 4.867 ( 0.000 0.000 0.025) 0.025 4.869 ( -0.000 -0.000 -0.040) 0.040 5.479 ( -0.000 -0.000 -0.433) 0.433 5.483 ( -0.000 -0.000 -0.143) 0.143 5.630 ( 0.000 0.000 0.028) 0.028 5.639 ( 0.000 0.000 0.774) 0.774 5.937 ( -0.000 -0.000 -0.080) 0.080 6.040 ( -0.000 -0.000 -0.233) 0.233 6.371 ( 0.000 0.000 0.466) 0.466 6.434 ( 0.000 0.000 0.340) 0.340 6.927 ( 0.000 0.000 0.703) 0.703 7.146 ( -0.000 -0.000 -0.519) 0.519 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( -8.060 0.004 5.085) 9.531 0.489 ( -4.867 3.740 7.529) 9.714 0.643 ( -8.385 8.620 4.779) 12.940 1.336 ( -1.521 -0.725 -4.379) 4.692 1.409 ( -0.048 1.058 0.964) 1.432 1.497 ( 4.983 -1.828 1.737) 5.584 1.656 ( 0.550 -1.607 -0.501) 1.771 1.715 ( -0.048 3.467 -3.863) 5.191 1.757 ( -2.732 -0.048 -0.077) 2.734 1.930 ( 1.193 -1.503 1.063) 2.193 2.379 ( 5.090 -5.394 0.467) 7.432 2.432 ( 3.336 0.161 0.015) 3.340 2.693 ( 1.937 -3.313 0.149) 3.841 2.743 ( 2.816 0.327 0.140) 2.838 3.735 ( 7.461 -3.168 0.361) 8.114 4.882 ( -1.002 0.918 -0.032) 1.359 4.909 ( -3.693 1.690 -0.048) 4.062 5.500 ( -1.924 1.254 -0.308) 2.317 5.560 ( -6.809 3.376 -0.121) 7.601 5.622 ( 0.948 -0.140 0.089) 0.962 5.647 ( -0.359 -0.038 0.627) 0.723 5.929 ( -0.099 -0.264 0.907) 0.950 6.047 ( -0.691 0.578 -0.154) 0.913 6.378 ( 0.076 0.499 0.229) 0.554 6.445 ( -0.536 -0.133 -0.319) 0.638 6.936 ( -0.308 0.091 0.744) 0.810 7.126 ( 1.303 -0.624 -0.600) 1.564 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -3.721 0.175 4.751) 6.037 0.598 ( -6.934 2.505 3.279) 8.069 1.005 ( -15.464 11.518 0.363) 19.285 1.311 ( -0.806 -0.726 -4.080) 4.222 1.426 ( 0.933 1.675 0.574) 2.001 1.468 ( 0.144 -0.196 3.987) 3.995 1.603 ( 3.092 -1.409 -1.220) 3.610 1.691 ( 1.263 0.434 -3.238) 3.502 1.823 ( -4.428 1.446 -0.054) 4.659 1.910 ( 0.342 -1.580 1.530) 2.225 2.176 ( 10.610 -8.345 0.029) 13.499 2.369 ( 3.850 -1.001 0.139) 3.980 2.582 ( 5.314 -5.930 0.105) 7.964 2.691 ( 4.498 0.056 0.131) 4.500 3.542 ( 10.265 -4.404 0.203) 11.172 4.916 ( -1.599 1.424 -0.037) 2.141 5.013 ( -5.841 2.767 -0.131) 6.464 5.556 ( -2.854 1.766 -0.154) 3.360 5.594 ( 1.871 -0.945 0.147) 2.101 5.658 ( -0.462 0.100 0.367) 0.599 5.748 ( -9.737 5.037 -0.031) 10.963 5.954 ( -1.648 0.434 0.761) 1.867 6.067 ( -0.815 0.842 -0.012) 1.172 6.380 ( 0.045 -0.159 0.096) 0.191 6.435 ( 1.008 -0.423 -0.408) 1.166 6.951 ( -0.716 0.095 0.689) 0.999 7.086 ( 1.934 -0.811 -0.716) 2.216 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -10.468 2.896 1.385) 10.949 0.783 ( -7.993 3.312 1.219) 8.738 1.244 ( -0.680 1.156 -0.472) 1.422 1.361 ( -7.574 4.642 -0.171) 8.885 1.426 ( 0.681 1.432 0.158) 1.593 1.503 ( 3.972 -1.158 -0.299) 4.148 1.542 ( -3.304 0.978 -0.460) 3.477 1.657 ( -0.488 0.828 -1.332) 1.643 1.869 ( 12.222 -9.382 0.757) 15.426 1.926 ( -6.211 -0.301 0.063) 6.219 1.946 ( -1.285 2.608 1.116) 3.114 2.293 ( 3.285 -1.679 -0.178) 3.693 2.418 ( 6.515 -6.872 0.050) 9.469 2.570 ( 9.553 -2.032 0.039) 9.767 3.346 ( 7.641 -3.513 0.071) 8.410 4.957 ( -1.520 1.267 -0.026) 1.979 5.146 ( -6.310 3.226 -0.153) 7.088 5.539 ( 2.954 -1.880 0.164) 3.505 5.620 ( -2.447 1.641 -0.081) 2.947 5.666 ( -0.211 0.115 0.141) 0.279 5.962 ( -9.400 4.758 0.089) 10.536 5.996 ( -2.058 0.639 0.293) 2.175 6.085 ( -0.226 0.644 0.058) 0.685 6.369 ( 0.997 -1.369 -0.135) 1.699 6.402 ( 1.698 -0.162 -0.124) 1.711 6.973 ( -1.116 0.149 0.532) 1.245 7.039 ( 1.907 -0.805 -0.611) 2.158 ======================= Grid point 24 (18/125) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -3.198 0.742 0.743) 3.365 0.967 ( -12.321 3.926 -0.500) 12.941 1.232 ( 0.471 -0.262 -0.824) 0.985 1.404 ( 2.069 -0.488 0.836) 2.284 1.412 ( 3.883 -0.583 -0.470) 3.955 1.487 ( -1.787 0.978 3.405) 3.968 1.533 ( 5.070 -4.600 -0.828) 6.896 1.588 ( 4.493 -2.226 -2.442) 5.577 1.750 ( -5.108 3.130 -0.458) 6.008 2.069 ( -5.691 4.338 0.085) 7.156 2.085 ( -11.742 3.055 1.142) 12.187 2.235 ( 1.160 -1.550 -0.384) 1.974 2.242 ( 5.475 -7.828 0.022) 9.553 2.326 ( 15.810 -3.251 -0.103) 16.141 3.237 ( 2.307 -1.520 0.010) 2.763 4.985 ( -0.646 0.546 -0.005) 0.846 5.269 ( -4.481 2.325 -0.070) 5.049 5.466 ( 3.081 -1.965 0.063) 3.655 5.662 ( -0.899 0.843 -0.010) 1.233 5.669 ( 0.088 0.060 0.022) 0.108 6.032 ( -1.220 0.311 0.025) 1.260 6.085 ( 0.581 0.176 0.076) 0.612 6.139 ( -6.001 2.902 0.042) 6.666 6.308 ( 3.160 -1.648 -0.136) 3.567 6.388 ( 0.142 -0.242 0.011) 0.281 6.991 ( 0.612 -0.725 -0.022) 0.949 7.008 ( -0.641 0.250 0.010) 0.689 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 5.653 -4.483 0.000) 7.215 0.980 ( 11.205 -8.039 0.000) 13.790 1.219 ( -0.642 0.079 0.000) 0.647 1.376 ( -1.055 2.000 -0.000) 2.262 1.409 ( -1.761 1.873 -0.000) 2.571 1.544 ( -1.880 0.438 0.000) 1.930 1.547 ( -5.354 1.900 -0.000) 5.681 1.567 ( -5.099 3.377 -0.000) 6.116 1.824 ( -0.707 0.278 -0.000) 0.759 1.979 ( 12.416 -10.382 0.000) 16.185 2.072 ( 8.654 -0.403 -0.000) 8.663 2.226 ( -1.843 -0.951 0.000) 2.074 2.246 ( -6.326 5.369 -0.000) 8.297 2.353 ( -13.303 3.842 0.000) 13.846 3.236 ( -2.753 0.466 0.000) 2.792 4.986 ( 0.608 -0.442 0.000) 0.752 5.277 ( 3.909 -2.447 0.000) 4.612 5.457 ( -2.696 1.718 -0.000) 3.197 5.664 ( 1.036 -0.222 -0.000) 1.059 5.665 ( 0.304 -0.122 0.000) 0.327 6.027 ( 1.745 -0.765 0.000) 1.905 6.081 ( -0.167 0.057 0.000) 0.176 6.130 ( 6.069 -3.189 0.000) 6.856 6.322 ( -3.641 2.139 -0.000) 4.223 6.386 ( -0.446 -0.464 0.000) 0.643 6.962 ( 0.992 -1.114 0.000) 1.492 7.041 ( -1.807 0.886 -0.000) 2.012 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.305 ( 0.000 0.000 4.267) 4.267 0.408 ( 0.000 0.000 5.371) 5.371 0.677 ( 0.000 0.000 8.422) 8.422 1.288 ( -0.000 -0.000 -3.498) 3.498 1.414 ( 0.000 0.000 1.064) 1.064 1.558 ( -0.000 -0.000 -3.610) 3.610 1.664 ( 0.000 0.000 1.413) 1.413 1.667 ( -0.000 -0.000 -2.091) 2.091 1.735 ( 0.000 0.000 0.440) 0.440 1.957 ( 0.000 0.000 0.519) 0.519 2.446 ( 0.000 0.000 0.661) 0.661 2.466 ( -0.000 -0.000 -0.474) 0.474 2.720 ( 0.000 0.000 0.130) 0.130 2.773 ( 0.000 0.000 0.127) 0.127 3.822 ( 0.000 0.000 0.375) 0.375 4.867 ( 0.000 0.000 0.023) 0.023 4.869 ( -0.000 -0.000 -0.024) 0.024 5.473 ( -0.000 -0.000 -0.317) 0.317 5.481 ( -0.000 -0.000 -0.125) 0.125 5.630 ( 0.000 0.000 0.024) 0.024 5.651 ( 0.000 0.000 0.621) 0.621 5.935 ( -0.000 -0.000 -0.071) 0.071 6.036 ( -0.000 -0.000 -0.165) 0.165 6.377 ( 0.000 0.000 0.327) 0.327 6.439 ( 0.000 0.000 0.299) 0.299 6.939 ( 0.000 0.000 0.654) 0.654 7.138 ( -0.000 -0.000 -0.456) 0.456 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -8.537 -0.957 2.958) 9.085 0.589 ( -8.791 8.605 4.645) 13.149 0.701 ( -0.252 1.867 2.098) 2.820 1.278 ( -1.233 -0.537 -2.573) 2.903 1.426 ( 0.445 1.640 0.897) 1.922 1.510 ( 1.413 -0.716 0.182) 1.595 1.642 ( 1.558 -0.124 -1.378) 2.084 1.673 ( 0.400 0.782 -1.035) 1.357 1.758 ( -2.258 0.336 0.097) 2.285 1.945 ( 0.638 -1.471 0.693) 1.747 2.383 ( 5.541 -5.294 0.042) 7.664 2.432 ( 2.582 -0.395 0.023) 2.612 2.695 ( 1.933 -3.330 0.100) 3.852 2.745 ( 2.794 0.300 0.090) 2.811 3.740 ( 7.477 -3.303 0.235) 8.177 4.882 ( -0.994 0.909 -0.016) 1.347 4.908 ( -3.614 1.687 -0.043) 3.988 5.496 ( -1.882 1.441 -0.176) 2.377 5.558 ( -6.962 3.315 -0.064) 7.711 5.623 ( 0.913 -0.064 0.042) 0.916 5.655 ( -0.286 -0.242 0.384) 0.536 5.938 ( -0.612 -0.024 0.294) 0.680 6.045 ( -0.735 0.646 -0.078) 0.981 6.381 ( -0.056 0.058 0.137) 0.159 6.442 ( 0.024 -0.067 -0.043) 0.083 6.947 ( -0.418 -0.065 0.498) 0.653 7.118 ( 1.457 -0.603 -0.368) 1.619 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -3.473 -0.365 2.433) 4.256 0.632 ( -4.926 0.696 0.729) 5.028 1.009 ( -16.253 11.587 0.106) 19.961 1.261 ( 0.186 -0.730 -1.716) 1.874 1.435 ( 1.494 2.102 0.314) 2.599 1.517 ( -0.974 0.078 1.839) 2.083 1.586 ( 3.218 -1.422 -0.659) 3.580 1.650 ( 1.244 0.384 -1.543) 2.019 1.822 ( -4.313 1.459 -0.037) 4.554 1.931 ( -0.204 -1.352 0.776) 1.572 2.176 ( 10.588 -8.611 -0.049) 13.647 2.369 ( 3.628 -1.544 -0.027) 3.943 2.584 ( 5.323 -5.960 0.044) 7.991 2.693 ( 4.479 0.012 0.057) 4.479 3.544 ( 10.249 -4.575 0.080) 11.224 4.916 ( -1.602 1.408 -0.013) 2.133 5.011 ( -5.778 2.784 -0.061) 6.414 5.555 ( -2.890 1.930 -0.051) 3.476 5.596 ( 1.918 -0.920 0.052) 2.128 5.662 ( -0.392 -0.047 0.144) 0.420 5.748 ( -9.878 4.994 -0.014) 11.069 5.962 ( -1.620 0.364 0.239) 1.678 6.067 ( -0.848 0.915 0.002) 1.248 6.381 ( -0.052 -0.455 0.025) 0.459 6.431 ( 1.140 -0.266 -0.131) 1.178 6.959 ( -0.850 -0.112 0.266) 0.898 7.078 ( 2.098 -0.776 -0.258) 2.251 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -10.232 2.196 0.000) 10.465 0.793 ( -7.544 2.858 -0.000) 8.067 1.239 ( 0.650 -0.281 0.000) 0.708 1.360 ( -11.908 7.855 -0.000) 14.265 1.428 ( 1.632 1.786 -0.000) 2.419 1.498 ( 4.491 -2.412 0.000) 5.097 1.541 ( -0.587 -0.262 0.000) 0.642 1.645 ( -1.633 1.577 -0.000) 2.270 1.874 ( 13.744 -10.065 0.000) 17.035 1.926 ( -6.839 0.429 0.000) 6.852 1.957 ( -2.646 2.447 -0.000) 3.604 2.291 ( 3.248 -2.008 0.000) 3.819 2.418 ( 6.512 -6.903 0.000) 9.489 2.570 ( 9.597 -2.071 -0.000) 9.818 3.346 ( 7.607 -3.629 0.000) 8.428 4.957 ( -1.524 1.268 -0.000) 1.982 5.144 ( -6.300 3.222 -0.000) 7.077 5.541 ( 2.959 -1.891 0.000) 3.511 5.620 ( -2.447 1.712 -0.000) 2.987 5.668 ( -0.174 0.085 -0.000) 0.194 5.963 ( -9.471 4.751 -0.000) 10.596 5.999 ( -1.968 0.570 0.000) 2.049 6.085 ( -0.210 0.680 -0.000) 0.712 6.368 ( 1.099 -1.497 0.000) 1.858 6.401 ( 1.564 -0.095 -0.000) 1.567 6.977 ( -1.204 0.043 0.000) 1.204 7.034 ( 1.951 -0.788 0.000) 2.104 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.354 ( 0.000 0.000 1.583) 1.583 0.468 ( 0.000 0.000 1.922) 1.922 0.769 ( 0.000 0.000 2.834) 2.834 1.248 ( -0.000 -0.000 -1.335) 1.335 1.428 ( 0.000 0.000 0.527) 0.527 1.518 ( -0.000 -0.000 -1.228) 1.228 1.640 ( -0.000 -0.000 -0.960) 0.960 1.678 ( 0.000 0.000 0.410) 0.410 1.740 ( 0.000 0.000 0.220) 0.220 1.962 ( 0.000 0.000 0.147) 0.147 2.453 ( 0.000 0.000 0.188) 0.188 2.461 ( -0.000 -0.000 -0.188) 0.188 2.721 ( 0.000 0.000 0.051) 0.051 2.774 ( 0.000 0.000 0.049) 0.049 3.826 ( 0.000 0.000 0.148) 0.148 4.867 ( 0.000 0.000 0.009) 0.009 4.868 ( -0.000 -0.000 -0.007) 0.007 5.469 ( -0.000 -0.000 -0.112) 0.112 5.479 ( -0.000 -0.000 -0.049) 0.049 5.630 ( 0.000 0.000 0.009) 0.009 5.658 ( 0.000 0.000 0.233) 0.233 5.934 ( -0.000 -0.000 -0.028) 0.028 6.034 ( -0.000 -0.000 -0.056) 0.056 6.381 ( 0.000 0.000 0.110) 0.110 6.443 ( 0.000 0.000 0.118) 0.118 6.947 ( 0.000 0.000 0.267) 0.267 7.133 ( -0.000 -0.000 -0.180) 0.180 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -8.727 -1.208 0.000) 8.811 0.630 ( -12.273 12.717 -0.000) 17.673 0.715 ( 4.710 -2.937 0.000) 5.550 1.257 ( -1.119 -0.546 0.000) 1.245 1.434 ( 0.688 1.900 -0.000) 2.021 1.511 ( -0.158 -0.028 0.000) 0.161 1.627 ( 1.171 -0.258 -0.000) 1.199 1.668 ( 1.532 0.294 -0.000) 1.560 1.759 ( -2.104 0.348 0.000) 2.133 1.951 ( 0.393 -1.326 0.000) 1.383 2.383 ( 5.648 -5.202 0.000) 7.679 2.433 ( 2.364 -0.696 -0.000) 2.464 2.696 ( 1.930 -3.337 0.000) 3.856 2.746 ( 2.783 0.290 -0.000) 2.798 3.742 ( 7.484 -3.356 0.000) 8.202 4.881 ( -0.991 0.904 -0.000) 1.342 4.907 ( -3.575 1.682 -0.000) 3.952 5.495 ( -1.869 1.508 -0.000) 2.401 5.558 ( -7.021 3.301 -0.000) 7.758 5.624 ( 0.898 -0.048 -0.000) 0.900 5.659 ( -0.255 -0.312 0.000) 0.403 5.941 ( -0.780 0.048 0.000) 0.781 6.045 ( -0.752 0.670 -0.000) 1.008 6.382 ( -0.089 -0.086 0.000) 0.124 6.442 ( 0.214 -0.050 -0.000) 0.219 6.951 ( -0.459 -0.135 0.000) 0.479 7.115 ( 1.508 -0.582 0.000) 1.617 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 0.000 10.886 -0.000) 10.886 0.218 ( 0.000 11.853 -0.000) 11.853 0.536 ( 0.000 27.021 -0.000) 27.021 1.330 ( -0.000 -2.901 0.000) 2.901 1.431 ( 0.000 0.865 -0.000) 0.865 1.499 ( -0.000 -1.517 0.000) 1.517 1.511 ( 0.000 0.029 -0.000) 0.029 1.740 ( 0.000 1.869 -0.000) 1.869 1.924 ( -0.000 -0.675 0.000) 0.675 1.998 ( -0.000 -2.798 0.000) 2.798 2.331 ( -0.000 -6.640 0.000) 6.640 2.459 ( -0.000 -2.587 0.000) 2.587 2.671 ( -0.000 -4.323 0.000) 4.323 2.754 ( -0.000 -1.519 0.000) 1.519 3.746 ( -0.000 -5.849 0.000) 5.849 4.882 ( 0.000 1.526 -0.000) 1.526 4.905 ( 0.000 3.529 -0.000) 3.529 5.509 ( 0.000 2.296 -0.000) 2.296 5.560 ( 0.000 6.874 -0.000) 6.874 5.617 ( -0.000 -0.477 0.000) 0.477 5.634 ( 0.000 0.488 -0.000) 0.488 5.849 ( 0.000 1.619 -0.000) 1.619 6.054 ( 0.000 0.893 -0.000) 0.893 6.428 ( 0.000 0.043 -0.000) 0.043 6.437 ( -0.000 -0.518 0.000) 0.518 6.921 ( 0.000 0.560 -0.000) 0.560 7.146 ( -0.000 -1.020 0.000) 1.020 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( -3.405 11.644 1.290) 12.200 0.386 ( -5.966 9.721 2.044) 11.587 0.901 ( -10.948 22.571 0.833) 25.100 1.301 ( 1.316 -2.084 2.038) 3.198 1.409 ( 1.988 -0.054 0.362) 2.021 1.484 ( -2.226 -2.444 -3.876) 5.094 1.559 ( -2.015 -1.639 3.327) 4.220 1.767 ( -0.298 1.309 -0.072) 1.344 1.883 ( 2.991 -1.155 -1.001) 3.359 1.940 ( 1.097 -0.060 -1.996) 2.278 2.206 ( 5.489 -9.828 0.420) 11.265 2.407 ( 2.511 -2.756 -0.075) 3.729 2.586 ( 3.622 -7.000 0.037) 7.882 2.731 ( 0.834 -1.403 0.004) 1.632 3.623 ( 6.418 -7.105 0.010) 9.575 4.915 ( -1.367 2.241 -0.005) 2.625 4.969 ( -2.905 4.478 0.062) 5.338 5.553 ( -1.618 3.176 -0.092) 3.565 5.600 ( 1.211 -1.221 0.108) 1.723 5.644 ( -0.381 0.753 0.050) 0.845 5.683 ( -5.317 7.912 -0.013) 9.533 5.887 ( -1.571 1.923 0.884) 2.636 6.068 ( -0.392 1.101 -0.016) 1.169 6.399 ( 1.414 0.698 -0.136) 1.582 6.450 ( -0.534 -1.316 -0.313) 1.454 6.929 ( -0.103 0.849 0.156) 0.870 7.126 ( 0.754 -1.369 -0.355) 1.603 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -7.425 10.957 -0.097) 13.236 0.616 ( -8.293 8.853 1.913) 12.280 1.244 ( -2.915 6.030 -0.622) 6.726 1.338 ( -6.518 8.071 3.649) 10.997 1.387 ( 0.132 -0.306 0.237) 0.409 1.464 ( -2.466 -0.662 -2.818) 3.802 1.577 ( 0.427 -1.698 1.611) 2.379 1.711 ( 3.302 -4.011 -0.906) 5.274 1.872 ( -0.340 -0.856 -1.236) 1.541 1.920 ( 0.605 1.615 -1.855) 2.533 1.987 ( 7.495 -7.337 1.078) 10.544 2.329 ( 3.247 -2.807 0.019) 4.292 2.428 ( 5.262 -9.169 -0.010) 10.572 2.688 ( 3.949 -0.283 -0.018) 3.959 3.422 ( 8.044 -7.468 -0.081) 10.977 4.962 ( -0.962 2.948 -0.023) 3.101 5.085 ( -5.447 4.174 -0.030) 6.862 5.554 ( 2.282 -2.246 0.107) 3.203 5.616 ( -1.699 3.580 -0.040) 3.963 5.659 ( -0.322 0.807 0.140) 0.880 5.869 ( -7.640 6.667 0.010) 10.140 5.946 ( -2.414 1.819 0.593) 3.080 6.084 ( -0.213 0.871 0.071) 0.900 6.383 ( 0.829 -0.147 -0.289) 0.890 6.430 ( 1.069 -1.145 -0.140) 1.573 6.943 ( -0.370 0.993 0.267) 1.092 7.090 ( 1.291 -1.452 -0.661) 2.052 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -7.788 7.228 -0.036) 10.625 0.870 ( -10.618 9.646 -0.396) 14.351 1.268 ( 0.976 0.540 2.360) 2.611 1.368 ( -0.068 -0.813 -1.619) 1.813 1.391 ( 1.100 -1.995 0.300) 2.298 1.523 ( 3.779 -1.193 -1.298) 4.170 1.612 ( 0.833 -1.853 0.812) 2.188 1.671 ( 9.597 -8.994 -0.521) 13.163 1.724 ( -11.365 5.517 -1.283) 12.698 1.872 ( -0.863 -2.137 0.485) 2.355 2.061 ( -4.613 9.626 0.059) 10.675 2.245 ( 5.026 -9.334 -0.224) 10.603 2.255 ( 1.924 -2.820 -0.071) 3.415 2.572 ( 10.929 1.422 -0.171) 11.022 3.240 ( 3.647 -7.648 -0.257) 8.477 4.999 ( 0.046 2.829 -0.005) 2.829 5.218 ( -5.697 3.332 -0.203) 6.603 5.483 ( 2.904 -3.128 0.112) 4.270 5.669 ( -0.406 2.391 0.078) 2.426 5.672 ( -0.127 1.619 0.149) 1.631 6.005 ( -2.240 1.304 0.214) 2.601 6.053 ( -7.203 4.613 0.123) 8.554 6.090 ( 0.335 0.279 0.185) 0.473 6.347 ( 2.239 -2.167 -0.415) 3.144 6.402 ( 1.102 0.013 -0.071) 1.105 6.964 ( -0.730 0.872 0.357) 1.192 7.047 ( 1.454 -1.232 -0.856) 2.089 ======================= Grid point 90 (30/125) ======================= q-point: ( 0.56 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.481 1.608 -0.776) 1.849 1.077 ( 0.033 2.454 -1.392) 2.822 1.264 ( 0.614 0.265 0.558) 0.871 1.355 ( -0.578 -0.511 -0.436) 0.887 1.367 ( -1.841 -0.110 1.026) 2.110 1.435 ( 1.485 -1.178 -1.061) 2.172 1.499 ( -0.061 -0.150 -0.502) 0.527 1.612 ( -1.349 -1.903 0.916) 2.506 1.800 ( 1.098 -0.649 0.079) 1.278 1.970 ( -4.326 -6.199 -0.564) 7.580 2.111 ( -3.882 -3.155 -0.570) 5.035 2.206 ( -0.982 -1.355 -0.729) 1.825 2.271 ( -2.549 6.229 0.507) 6.750 2.368 ( 12.772 7.845 -0.326) 14.992 3.162 ( -3.025 -6.505 -0.387) 7.185 5.011 ( 1.428 1.977 0.037) 2.439 5.300 ( 0.093 -0.003 -0.178) 0.201 5.428 ( -1.131 -1.174 0.010) 1.630 5.675 ( 0.452 0.697 0.066) 0.833 5.692 ( 1.308 2.247 0.199) 2.608 6.042 ( -0.467 0.643 -0.052) 0.796 6.079 ( 0.549 -0.365 0.128) 0.672 6.176 ( -0.849 0.896 -0.055) 1.235 6.282 ( 0.098 -1.235 0.081) 1.241 6.390 ( 0.443 0.113 -0.265) 0.528 6.987 ( -0.410 0.273 -0.059) 0.496 7.011 ( 0.452 -0.500 -0.339) 0.754 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 8.957 -2.460 -2.261) 9.560 0.874 ( 13.328 -4.528 -1.854) 14.198 1.259 ( 0.762 -0.296 -0.934) 1.241 1.372 ( -0.871 0.419 1.373) 1.679 1.419 ( 0.328 -0.186 0.055) 0.381 1.479 ( -4.319 2.670 1.416) 5.272 1.617 ( -3.873 0.377 0.270) 3.900 1.696 ( -10.064 3.871 -0.472) 10.793 1.713 ( 6.210 -4.952 2.157) 8.231 1.871 ( -0.067 -2.956 -3.011) 4.220 2.091 ( 12.256 0.776 0.027) 12.280 2.222 ( -3.215 -1.582 -1.370) 3.836 2.277 ( -12.139 -0.167 -0.179) 12.141 2.515 ( -4.610 9.866 0.195) 10.891 3.207 ( -8.448 -3.200 -0.436) 9.044 4.991 ( 2.581 0.808 0.059) 2.705 5.222 ( 5.411 -2.551 0.095) 5.983 5.489 ( -4.118 0.955 -0.205) 4.232 5.666 ( 1.873 0.507 0.084) 1.943 5.677 ( 2.018 0.988 0.075) 2.248 6.021 ( 2.430 -0.329 -0.291) 2.469 6.062 ( 5.612 -2.330 -0.129) 6.078 6.086 ( 2.269 -0.896 -0.134) 2.443 6.349 ( -3.924 1.231 0.450) 4.137 6.383 ( -0.143 -0.209 -0.320) 0.407 6.964 ( 0.979 -0.521 -1.151) 1.598 7.037 ( -1.804 0.458 0.993) 2.109 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 12.828 -1.892 -3.475) 13.425 0.621 ( 9.914 -3.244 -3.607) 11.037 1.187 ( 10.058 -2.503 1.508) 10.474 1.366 ( 4.423 -1.042 -4.173) 6.169 1.403 ( 0.979 -0.026 -0.090) 0.984 1.476 ( 3.161 -0.003 4.425) 5.438 1.605 ( -2.910 2.730 0.624) 4.039 1.677 ( -3.995 -2.962 0.335) 4.985 1.853 ( -0.205 -0.488 -1.034) 1.161 1.944 ( 5.857 0.963 1.091) 6.035 2.014 ( -15.288 4.462 -0.444) 15.932 2.265 ( -4.862 -1.441 -1.637) 5.329 2.475 ( -10.920 0.656 -0.157) 10.941 2.639 ( -2.738 3.097 -0.031) 4.134 3.367 ( -11.992 0.158 -0.395) 11.999 4.948 ( 2.828 -0.058 0.042) 2.829 5.101 ( 6.420 -1.573 0.121) 6.611 5.556 ( -3.023 0.591 -0.152) 3.084 5.618 ( 3.972 0.235 0.412) 4.001 5.657 ( 0.991 0.046 -0.432) 1.082 5.881 ( 10.292 -2.520 -0.161) 10.597 5.965 ( 3.025 -0.418 -0.792) 3.155 6.076 ( 0.542 -0.205 0.059) 0.582 6.372 ( 0.108 -0.113 -0.438) 0.465 6.424 ( -2.726 0.466 0.583) 2.827 6.938 ( 0.637 -0.295 -0.988) 1.212 7.082 ( -2.012 0.346 1.030) 2.286 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 8.621 -0.000 -7.179) 11.218 0.405 ( 10.141 -0.000 -3.837) 10.843 0.857 ( 23.508 -0.000 -0.209) 23.509 1.323 ( -3.380 -0.000 -4.133) 5.340 1.391 ( 0.510 -0.000 -0.253) 0.570 1.511 ( 0.743 0.000 5.999) 6.044 1.690 ( -2.356 0.000 1.187) 2.639 1.697 ( -2.649 -0.000 -1.371) 2.982 1.814 ( 2.433 -0.000 -1.073) 2.659 1.918 ( 0.442 0.000 1.730) 1.785 2.275 ( -12.001 0.000 0.085) 12.001 2.322 ( -4.453 -0.000 -1.400) 4.668 2.639 ( -7.818 0.000 -0.109) 7.818 2.685 ( -1.673 0.000 -0.079) 1.675 3.573 ( -11.817 0.000 -0.275) 11.820 4.904 ( 2.093 -0.000 0.026) 2.093 4.986 ( 6.076 -0.000 0.009) 6.076 5.556 ( 3.722 0.000 0.399) 3.743 5.599 ( -1.869 0.000 -0.064) 1.870 5.638 ( 0.712 -0.000 -0.541) 0.894 5.690 ( 10.145 -0.000 -0.057) 10.145 5.906 ( 2.468 -0.000 -1.463) 2.869 6.063 ( 0.880 0.000 0.119) 0.888 6.366 ( 0.117 -0.000 -0.378) 0.395 6.465 ( -1.260 0.000 0.790) 1.487 6.922 ( 0.290 -0.000 -0.610) 0.675 7.122 ( -1.613 0.000 0.732) 1.771 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.265 ( 12.306 -0.000 -0.000) 12.306 0.371 ( 10.977 -0.000 -0.000) 10.977 0.856 ( 24.816 -0.000 -0.000) 24.816 1.285 ( -3.283 0.000 0.000) 3.283 1.389 ( 0.631 -0.000 -0.000) 0.631 1.576 ( 0.749 -0.000 -0.000) 0.749 1.670 ( -3.782 0.000 0.000) 3.782 1.700 ( -2.349 0.000 0.000) 2.349 1.804 ( 2.668 -0.000 -0.000) 2.668 1.936 ( 0.416 -0.000 -0.000) 0.416 2.276 ( -12.135 0.000 0.000) 12.135 2.310 ( -4.577 0.000 0.000) 4.577 2.638 ( -7.823 0.000 0.000) 7.823 2.684 ( -1.658 0.000 0.000) 1.658 3.571 ( -11.833 0.000 0.000) 11.833 4.904 ( 2.092 -0.000 -0.000) 2.092 4.986 ( 6.134 -0.000 -0.000) 6.134 5.559 ( 3.745 -0.000 -0.000) 3.745 5.599 ( -1.888 0.000 0.000) 1.888 5.633 ( 0.758 -0.000 -0.000) 0.758 5.690 ( 10.094 -0.000 -0.000) 10.094 5.893 ( 3.190 -0.000 -0.000) 3.190 6.064 ( 0.853 -0.000 -0.000) 0.853 6.362 ( 0.112 -0.000 -0.000) 0.112 6.473 ( -1.631 0.000 0.000) 1.631 6.917 ( 0.215 -0.000 -0.000) 0.215 7.129 ( -1.561 0.000 0.000) 1.561 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.242 ( 0.000 9.582 3.295) 10.132 0.294 ( 0.000 7.487 7.849) 10.847 0.573 ( 0.000 24.597 4.208) 24.954 1.365 ( 0.000 -3.056 2.588) 4.004 1.429 ( -0.000 -0.638 -4.795) 4.837 1.464 ( 0.000 -2.673 3.513) 4.414 1.572 ( 0.000 -0.807 3.714) 3.800 1.741 ( 0.000 1.831 0.071) 1.832 1.919 ( -0.000 -0.090 -1.494) 1.497 1.923 ( -0.000 0.077 -6.496) 6.497 2.341 ( -0.000 -6.944 1.028) 7.020 2.455 ( -0.000 -2.618 -0.386) 2.646 2.672 ( -0.000 -4.324 0.095) 4.325 2.754 ( -0.000 -1.553 0.033) 1.554 3.747 ( -0.000 -5.937 0.106) 5.938 4.882 ( 0.000 1.531 0.021) 1.532 4.907 ( 0.000 3.545 0.078) 3.545 5.509 ( 0.000 2.299 -0.091) 2.300 5.557 ( 0.000 6.827 -0.327) 6.835 5.622 ( 0.000 -0.488 0.529) 0.720 5.634 ( 0.000 0.481 0.011) 0.481 5.881 ( 0.000 -0.505 2.730) 2.776 6.053 ( 0.000 0.949 -0.103) 0.954 6.417 ( -0.000 0.985 -1.799) 2.052 6.429 ( 0.000 0.035 0.213) 0.216 6.923 ( 0.000 0.521 0.324) 0.614 7.141 ( -0.000 -1.075 -0.500) 1.186 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -4.203 8.033 3.389) 9.678 0.444 ( -3.628 7.652 4.681) 9.676 0.924 ( -9.663 20.986 1.694) 23.166 1.351 ( 0.690 -1.763 3.005) 3.552 1.396 ( -0.259 -1.723 -2.837) 3.329 1.445 ( 1.043 -0.056 0.695) 1.255 1.608 ( -1.104 -1.956 2.370) 3.266 1.763 ( 0.302 0.299 -0.719) 0.835 1.846 ( 1.361 0.557 -3.525) 3.820 1.899 ( 0.264 -0.593 -1.919) 2.026 2.215 ( 5.616 -10.073 0.541) 11.545 2.404 ( 2.136 -2.970 -0.286) 3.669 2.587 ( 3.655 -7.026 0.097) 7.920 2.732 ( 0.781 -1.508 0.018) 1.698 3.623 ( 6.391 -7.292 0.047) 9.696 4.915 ( -1.321 2.264 -0.014) 2.622 4.970 ( -2.856 4.457 0.061) 5.294 5.550 ( -1.599 3.238 -0.167) 3.615 5.603 ( 1.220 -1.234 0.268) 1.756 5.645 ( -0.541 0.743 0.139) 0.930 5.682 ( -5.270 7.821 -0.062) 9.431 5.908 ( -1.094 1.016 1.530) 2.138 6.067 ( -0.416 1.209 -0.024) 1.278 6.394 ( 1.043 0.441 -0.448) 1.218 6.443 ( -0.499 -0.766 -0.378) 0.989 6.933 ( -0.193 0.655 0.380) 0.782 7.117 ( 0.831 -1.389 -0.729) 1.776 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -6.142 8.571 1.048) 10.596 0.649 ( -7.888 7.158 2.111) 10.859 1.240 ( -4.667 9.002 -0.029) 10.140 1.364 ( -0.613 -0.973 -2.360) 2.625 1.410 ( -3.741 3.419 3.530) 6.176 1.439 ( -1.930 2.006 0.543) 2.837 1.592 ( 2.465 -1.330 0.024) 2.801 1.690 ( 1.845 -4.227 -1.743) 4.931 1.852 ( 0.554 -2.796 -0.801) 2.960 1.899 ( -1.639 3.042 -0.715) 3.529 1.996 ( 7.248 -7.415 -0.005) 10.369 2.327 ( 2.885 -3.280 -0.285) 4.377 2.428 ( 5.357 -9.234 0.023) 10.675 2.687 ( 3.937 -0.422 -0.009) 3.959 3.420 ( 8.073 -7.687 -0.113) 11.148 4.961 ( -0.951 2.983 -0.036) 3.131 5.084 ( -5.307 4.158 -0.085) 6.743 5.556 ( 2.277 -2.350 0.176) 3.277 5.615 ( -1.764 3.652 -0.040) 4.056 5.662 ( -0.359 0.731 0.203) 0.840 5.869 ( -7.705 6.752 0.003) 10.245 5.958 ( -2.071 1.352 0.739) 2.581 6.085 ( -0.262 0.974 0.118) 1.016 6.377 ( 0.662 -0.636 -0.493) 1.042 6.427 ( 1.058 -0.759 -0.145) 1.310 6.949 ( -0.555 0.655 0.386) 0.941 7.077 ( 1.374 -1.415 -0.910) 2.172 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -8.805 7.396 0.067) 11.499 0.863 ( -8.837 6.753 -0.334) 11.127 1.282 ( 0.877 0.348 -1.439) 1.720 1.365 ( -0.064 -0.120 2.398) 2.402 1.409 ( 0.920 -1.453 1.569) 2.328 1.502 ( 4.384 -1.130 -1.365) 4.729 1.603 ( 2.061 -2.757 -1.778) 3.874 1.667 ( 4.802 -7.641 -0.113) 9.025 1.700 ( -6.598 3.295 -1.637) 7.554 1.886 ( -3.274 -1.451 1.213) 3.781 2.064 ( -4.927 9.406 0.408) 10.626 2.241 ( 4.889 -9.365 -0.292) 10.569 2.250 ( 2.050 -3.431 -0.475) 4.025 2.569 ( 11.113 1.340 -0.123) 11.194 3.235 ( 3.629 -7.909 -0.281) 8.706 4.999 ( 0.040 2.888 -0.004) 2.889 5.215 ( -5.599 3.302 -0.240) 6.504 5.485 ( 2.838 -3.270 0.129) 4.332 5.671 ( -0.512 2.883 0.113) 2.930 5.674 ( -0.007 1.250 0.147) 1.259 6.009 ( -1.998 1.081 0.223) 2.283 6.055 ( -7.251 4.676 0.149) 8.630 6.093 ( 0.320 0.319 0.194) 0.492 6.339 ( 1.966 -2.245 -0.500) 3.026 6.400 ( 1.198 -0.075 -0.097) 1.204 6.971 ( -0.958 0.528 0.420) 1.172 7.032 ( 1.436 -1.191 -0.942) 2.090 ======================= Grid point 100 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.653 0.209 -0.468) 1.730 1.052 ( -1.471 1.906 -1.501) 2.837 1.246 ( 0.645 -0.443 -2.037) 2.182 1.368 ( -0.137 -0.665 1.025) 1.229 1.388 ( 0.994 -0.343 1.330) 1.696 1.439 ( -0.992 -0.444 1.949) 2.232 1.490 ( -0.794 0.098 -0.532) 0.960 1.610 ( -1.139 -1.490 -1.286) 2.274 1.793 ( -2.320 0.729 -0.721) 2.536 1.968 ( -0.544 -8.078 0.298) 8.102 2.104 ( -5.014 -2.868 -0.329) 5.786 2.192 ( -1.039 -2.395 -0.890) 2.758 2.277 ( -1.379 5.293 0.174) 5.472 2.366 ( 11.761 8.696 0.011) 14.627 3.156 ( -3.119 -6.784 -0.336) 7.475 5.012 ( 1.429 2.038 0.037) 2.489 5.297 ( -0.254 0.015 -0.169) 0.306 5.428 ( -0.873 -1.325 0.012) 1.586 5.677 ( 0.584 0.694 0.077) 0.910 5.695 ( 1.317 2.405 0.161) 2.747 6.041 ( -0.326 0.574 -0.042) 0.661 6.082 ( 0.674 -0.366 0.159) 0.784 6.174 ( -0.287 0.515 -0.110) 0.600 6.283 ( -0.687 -0.768 0.036) 1.031 6.385 ( 0.448 -0.109 -0.229) 0.514 6.980 ( 0.867 -0.745 -0.669) 1.325 7.012 ( -1.153 0.287 0.348) 1.239 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 8.879 -3.634 -1.225) 9.672 0.846 ( 14.398 -5.649 -1.480) 15.537 1.235 ( -0.336 0.040 -1.440) 1.479 1.405 ( 0.365 0.943 0.932) 1.375 1.427 ( -0.950 0.912 2.122) 2.497 1.506 ( -2.979 1.736 1.863) 3.919 1.601 ( -2.079 0.045 -2.412) 3.185 1.681 ( -13.915 5.318 -0.847) 14.920 1.743 ( 9.857 -7.514 1.113) 12.444 1.840 ( -2.378 -1.794 -0.651) 3.049 2.094 ( 11.995 1.050 0.230) 12.043 2.198 ( -3.460 -2.306 -1.379) 4.381 2.274 ( -12.199 -0.241 -0.122) 12.202 2.518 ( -4.472 9.559 0.191) 10.555 3.201 ( -8.557 -3.435 -0.286) 9.225 4.992 ( 2.596 0.834 0.043) 2.727 5.223 ( 5.267 -2.606 0.045) 5.877 5.486 ( -4.073 0.975 -0.128) 4.190 5.667 ( 1.267 0.337 0.059) 1.312 5.678 ( 2.821 1.265 0.046) 3.092 6.017 ( 2.719 -0.418 -0.207) 2.759 6.062 ( 6.806 -2.740 0.091) 7.337 6.083 ( 1.013 -0.501 -0.250) 1.158 6.355 ( -3.537 1.291 0.222) 3.772 6.379 ( -0.604 -0.361 -0.167) 0.723 6.948 ( 0.926 -0.732 -0.747) 1.397 7.051 ( -2.017 0.538 0.665) 2.191 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 14.970 -3.564 -1.397) 15.452 0.576 ( 10.408 -3.320 -1.546) 11.034 1.224 ( 6.092 -1.414 2.955) 6.916 1.295 ( 12.410 -2.629 -4.113) 13.336 1.402 ( 0.876 0.219 -0.033) 0.903 1.545 ( -0.666 1.473 3.805) 4.134 1.594 ( -2.587 2.771 -2.055) 4.312 1.678 ( -4.027 -3.662 0.005) 5.443 1.847 ( 0.603 -1.068 -0.012) 1.226 1.961 ( 4.872 1.194 0.789) 5.078 2.007 ( -15.687 4.979 -0.323) 16.462 2.243 ( -5.212 -2.022 -0.851) 5.655 2.473 ( -10.950 0.621 -0.063) 10.967 2.639 ( -2.649 3.043 0.003) 4.035 3.362 ( -12.063 0.046 -0.157) 12.064 4.948 ( 2.839 -0.062 0.019) 2.839 5.102 ( 6.434 -1.582 0.035) 6.626 5.554 ( -3.051 0.623 -0.058) 3.115 5.624 ( 4.059 0.455 0.230) 4.091 5.651 ( 1.062 -0.118 -0.242) 1.095 5.879 ( 10.221 -2.595 -0.058) 10.545 5.955 ( 3.515 -0.509 -0.355) 3.570 6.077 ( 0.491 -0.156 0.029) 0.516 6.367 ( 0.095 -0.260 -0.188) 0.335 6.431 ( -2.855 0.558 0.235) 2.918 6.926 ( 0.515 -0.376 -0.387) 0.746 7.095 ( -2.018 0.381 0.428) 2.098 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 7.581 4.350) 8.740 0.433 ( 0.000 4.376 8.700) 9.738 0.654 ( 0.000 18.636 5.110) 19.324 1.352 ( -0.000 -0.438 -4.563) 4.584 1.399 ( 0.000 -0.575 1.960) 2.043 1.511 ( 0.000 -4.275 1.702) 4.601 1.625 ( 0.000 -0.874 2.755) 2.890 1.742 ( 0.000 1.704 0.123) 1.708 1.798 ( -0.000 2.963 -7.088) 7.683 1.916 ( -0.000 -2.428 0.127) 2.431 2.357 ( -0.000 -7.418 0.799) 7.461 2.447 ( -0.000 -2.694 -0.592) 2.758 2.674 ( -0.000 -4.326 0.145) 4.329 2.755 ( -0.000 -1.668 0.072) 1.670 3.750 ( -0.000 -6.190 0.228) 6.194 4.883 ( 0.000 1.545 0.034) 1.545 4.907 ( 0.000 3.639 -0.032) 3.639 5.507 ( 0.000 2.306 -0.139) 2.310 5.552 ( 0.000 6.894 -0.310) 6.900 5.632 ( 0.000 -0.627 0.659) 0.910 5.634 ( 0.000 0.463 0.015) 0.463 5.915 ( 0.000 -0.833 1.418) 1.645 6.051 ( 0.000 1.082 -0.128) 1.090 6.394 ( -0.000 1.069 -0.955) 1.433 6.434 ( 0.000 0.015 0.326) 0.326 6.930 ( 0.000 0.324 0.525) 0.617 7.132 ( -0.000 -1.239 -0.551) 1.356 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( -5.172 6.311 3.676) 8.950 0.528 ( -0.761 2.871 5.329) 6.100 0.947 ( -8.342 18.903 0.914) 20.682 1.320 ( -0.853 -0.836 -3.967) 4.142 1.418 ( -0.431 -0.530 3.284) 3.354 1.472 ( 2.486 -0.160 1.850) 3.103 1.634 ( 0.552 -1.362 0.966) 1.759 1.727 ( 1.564 -1.415 -3.876) 4.413 1.800 ( -2.252 3.487 -1.330) 4.359 1.887 ( 0.304 -2.405 0.257) 2.437 2.219 ( 5.726 -10.716 -0.074) 12.150 2.397 ( 1.731 -3.302 -0.480) 3.760 2.589 ( 3.694 -7.061 0.117) 7.970 2.732 ( 0.703 -1.670 0.029) 1.812 3.624 ( 6.392 -7.554 0.076) 9.896 4.915 ( -1.247 2.300 -0.016) 2.617 4.970 ( -2.827 4.479 -0.023) 5.296 5.548 ( -1.606 3.313 -0.131) 3.684 5.608 ( 1.321 -1.266 0.302) 1.855 5.648 ( -0.764 0.663 0.206) 1.032 5.681 ( -5.244 7.768 -0.146) 9.374 5.930 ( -0.893 0.522 1.028) 1.458 6.067 ( -0.457 1.350 -0.004) 1.425 6.385 ( 0.479 -0.054 -0.534) 0.719 6.439 ( -0.100 -0.351 -0.070) 0.372 6.940 ( -0.336 0.308 0.394) 0.603 7.105 ( 0.997 -1.461 -0.641) 1.881 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -4.614 5.423 1.416) 7.260 0.681 ( -7.428 5.706 1.743) 9.528 1.240 ( -4.458 8.168 0.054) 9.305 1.314 ( -4.276 3.134 -3.102) 6.143 1.449 ( 1.485 0.368 1.689) 2.279 1.477 ( -2.717 2.039 3.019) 4.545 1.579 ( 4.123 -1.254 -1.424) 4.539 1.657 ( 0.284 -3.413 -2.143) 4.040 1.853 ( -0.588 -2.170 0.662) 2.344 1.898 ( -1.773 1.772 0.677) 2.597 1.987 ( 6.814 -7.949 -1.018) 10.519 2.319 ( 2.674 -3.799 -0.584) 4.682 2.428 ( 5.425 -9.279 0.052) 10.749 2.687 ( 3.897 -0.584 0.010) 3.940 3.418 ( 8.120 -7.916 -0.087) 11.340 4.961 ( -0.941 3.020 -0.033) 3.163 5.082 ( -5.171 4.169 -0.105) 6.643 5.559 ( 2.283 -2.487 0.171) 3.380 5.614 ( -1.827 3.761 -0.026) 4.181 5.665 ( -0.395 0.637 0.171) 0.769 5.869 ( -7.800 6.839 -0.009) 10.374 5.968 ( -1.827 0.995 0.515) 2.143 6.087 ( -0.318 1.067 0.110) 1.119 6.369 ( 0.454 -1.124 -0.455) 1.295 6.425 ( 1.141 -0.453 -0.088) 1.231 6.955 ( -0.800 0.273 0.301) 0.898 7.063 ( 1.534 -1.413 -0.695) 2.198 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -10.414 7.187 0.021) 12.653 0.860 ( -6.403 4.464 -0.031) 7.806 1.249 ( 0.497 -0.361 -1.878) 1.976 1.418 ( 1.406 0.261 3.066) 3.383 1.441 ( -0.458 -0.049 2.485) 2.528 1.480 ( 3.749 -0.574 -1.174) 3.970 1.563 ( 0.513 -1.606 -3.021) 3.460 1.664 ( 1.663 -5.653 -0.238) 5.897 1.675 ( -0.346 -1.764 -1.225) 2.175 1.905 ( -4.809 -1.001 0.975) 5.007 2.073 ( -5.320 8.999 0.631) 10.473 2.234 ( 2.586 -5.622 -0.597) 6.217 2.243 ( 4.467 -7.672 -0.259) 8.882 2.568 ( 11.207 1.267 -0.039) 11.278 3.232 ( 3.624 -8.125 -0.177) 8.898 4.999 ( 0.031 2.940 -0.002) 2.940 5.211 ( -5.518 3.289 -0.161) 6.426 5.487 ( 2.791 -3.395 0.085) 4.396 5.673 ( -0.589 3.322 0.079) 3.375 5.676 ( 0.083 0.926 0.091) 0.934 6.012 ( -1.805 0.930 0.138) 2.035 6.057 ( -7.382 4.719 0.101) 8.762 6.095 ( 0.370 0.339 0.118) 0.516 6.332 ( 1.761 -2.352 -0.343) 2.958 6.399 ( 1.264 -0.129 -0.072) 1.273 6.977 ( -1.157 0.226 0.282) 1.212 7.019 ( 1.430 -1.164 -0.596) 1.938 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 2.510 -0.819 -0.111) 2.643 1.033 ( -2.440 1.609 -0.678) 3.000 1.219 ( 0.748 -0.799 -0.940) 1.442 1.377 ( 1.419 -1.783 0.172) 2.285 1.400 ( -0.159 0.569 0.308) 0.666 1.480 ( -1.697 0.296 0.195) 1.734 1.498 ( -0.895 -0.184 3.530) 3.647 1.572 ( -0.543 -0.861 -3.171) 3.331 1.783 ( -4.407 0.581 -0.381) 4.461 1.975 ( 1.570 -8.358 0.315) 8.510 2.101 ( -5.819 -2.726 -0.077) 6.426 2.180 ( -0.832 -3.443 -0.458) 3.572 2.278 ( -0.490 4.885 0.022) 4.909 2.367 ( 10.786 9.223 0.073) 14.192 3.152 ( -3.175 -6.964 -0.132) 7.655 5.012 ( 1.428 2.078 0.016) 2.522 5.295 ( -0.461 0.025 -0.070) 0.467 5.428 ( -0.717 -1.418 0.005) 1.589 5.678 ( 0.661 0.699 0.035) 0.963 5.697 ( 1.333 2.505 0.060) 2.839 6.041 ( -0.211 0.547 -0.015) 0.586 6.084 ( 0.709 -0.359 0.076) 0.799 6.173 ( 0.086 0.213 -0.062) 0.238 6.284 ( -1.192 -0.441 0.005) 1.271 6.383 ( 0.454 -0.253 -0.089) 0.527 6.971 ( 1.185 -1.086 -0.309) 1.637 7.017 ( -1.682 0.476 0.189) 1.759 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 8.689 -4.142 0.000) 9.626 0.833 ( 14.974 -6.075 0.000) 16.160 1.223 ( -0.776 0.178 0.000) 0.796 1.408 ( 0.133 1.107 -0.000) 1.115 1.456 ( -1.856 2.502 -0.000) 3.115 1.543 ( 0.036 0.099 -0.000) 0.106 1.553 ( -1.450 -0.215 0.000) 1.466 1.675 ( -15.479 5.732 -0.000) 16.506 1.751 ( 9.380 -8.548 0.000) 12.691 1.838 ( -2.578 -0.858 0.000) 2.717 2.096 ( 12.002 1.280 -0.000) 12.070 2.185 ( -3.682 -2.749 0.000) 4.595 2.273 ( -12.227 -0.270 0.000) 12.230 2.520 ( -4.413 9.435 -0.000) 10.416 3.199 ( -8.600 -3.528 0.000) 9.296 4.992 ( 2.602 0.844 -0.000) 2.735 5.223 ( 5.212 -2.629 0.000) 5.838 5.485 ( -4.054 0.983 0.000) 4.172 5.668 ( 1.026 0.262 -0.000) 1.059 5.678 ( 3.142 1.382 -0.000) 3.433 6.015 ( 2.841 -0.452 -0.000) 2.877 6.064 ( 7.978 -3.121 0.000) 8.567 6.080 ( -0.188 -0.129 0.000) 0.228 6.356 ( -3.228 1.251 -0.000) 3.462 6.378 ( -0.939 -0.358 0.000) 1.005 6.942 ( 0.904 -0.816 0.000) 1.218 7.056 ( -2.106 0.570 0.000) 2.182 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 4.116 0.000 8.034) 9.027 0.482 ( 8.711 0.000 5.216) 10.153 0.865 ( 21.049 -0.000 0.749) 21.063 1.392 ( -1.518 0.000 1.225) 1.951 1.397 ( 0.145 0.000 0.406) 0.431 1.418 ( -0.377 -0.000 -2.433) 2.462 1.663 ( -2.323 -0.000 -1.943) 3.028 1.696 ( -1.613 -0.000 -1.333) 2.092 1.824 ( 3.903 -0.000 -0.251) 3.911 1.905 ( -0.898 0.000 0.642) 1.104 2.273 ( -11.671 0.000 -0.138) 11.672 2.348 ( -4.225 0.000 1.535) 4.495 2.641 ( -7.803 0.000 0.162) 7.805 2.687 ( -1.701 0.000 0.152) 1.708 3.579 ( -11.778 0.000 0.420) 11.786 4.904 ( 2.094 -0.000 -0.030) 2.094 4.985 ( 5.989 -0.000 -0.111) 5.990 5.548 ( 3.692 -0.000 -0.471) 3.722 5.600 ( -1.818 0.000 0.100) 1.821 5.649 ( 0.595 0.000 0.660) 0.889 5.691 ( 10.276 -0.000 0.088) 10.276 5.931 ( 1.631 0.000 1.446) 2.180 6.060 ( 0.941 -0.000 -0.139) 0.952 6.373 ( 0.138 0.000 0.502) 0.520 6.451 ( -0.863 -0.000 -0.866) 1.223 6.935 ( 0.474 0.000 0.958) 1.069 7.108 ( -1.842 -0.000 -0.949) 2.072 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 0.000 6.288 3.541) 7.217 0.565 ( 0.000 5.014 7.341) 8.890 0.719 ( 0.000 11.453 2.472) 11.717 1.285 ( -0.000 -0.304 -3.449) 3.463 1.432 ( 0.000 1.214 2.020) 2.357 1.519 ( -0.000 -2.065 -0.373) 2.099 1.661 ( 0.000 -0.784 1.659) 1.835 1.701 ( -0.000 1.755 -4.788) 5.100 1.744 ( 0.000 1.482 0.134) 1.488 1.923 ( -0.000 -2.904 0.672) 2.981 2.365 ( -0.000 -8.125 0.185) 8.128 2.438 ( -0.000 -2.781 -0.523) 2.830 2.676 ( -0.000 -4.329 0.127) 4.331 2.756 ( -0.000 -1.794 0.066) 1.795 3.754 ( -0.000 -6.446 0.218) 6.449 4.883 ( 0.000 1.561 0.031) 1.561 4.906 ( 0.000 3.660 -0.064) 3.660 5.504 ( 0.000 2.313 -0.122) 2.316 5.548 ( 0.000 7.117 -0.179) 7.119 5.635 ( 0.000 0.442 0.013) 0.442 5.642 ( 0.000 -0.884 0.490) 1.011 5.930 ( 0.000 -0.246 0.488) 0.547 6.049 ( 0.000 1.217 -0.088) 1.221 6.384 ( -0.000 0.298 -0.342) 0.454 6.439 ( 0.000 -0.008 0.286) 0.286 6.939 ( 0.000 0.026 0.463) 0.463 7.124 ( -0.000 -1.280 -0.411) 1.344 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -5.789 5.649 2.391) 8.435 0.605 ( 1.594 -1.439 3.749) 4.320 0.951 ( -7.983 17.977 -0.238) 19.671 1.265 ( -0.667 -0.666 -2.521) 2.691 1.466 ( 0.024 1.654 2.333) 2.860 1.496 ( 1.083 -0.265 1.195) 1.634 1.638 ( 2.669 -0.640 -1.026) 2.930 1.667 ( 0.174 -1.740 -2.224) 2.829 1.791 ( -2.478 3.219 -0.186) 4.067 1.900 ( -0.145 -2.684 1.008) 2.871 2.214 ( 5.695 -11.645 -0.431) 12.970 2.390 ( 1.556 -3.601 -0.408) 3.944 2.590 ( 3.720 -7.089 0.078) 8.006 2.732 ( 0.633 -1.808 0.021) 1.916 3.625 ( 6.416 -7.760 0.059) 10.069 4.915 ( -1.181 2.330 -0.010) 2.612 4.970 ( -2.813 4.500 -0.046) 5.307 5.546 ( -1.641 3.371 -0.066) 3.750 5.612 ( 1.493 -1.308 0.198) 1.995 5.652 ( -0.844 0.381 0.196) 0.946 5.678 ( -5.387 7.958 -0.174) 9.612 5.942 ( -0.924 0.446 0.433) 1.114 6.067 ( -0.498 1.455 0.008) 1.538 6.378 ( 0.155 -0.522 -0.315) 0.629 6.440 ( 0.249 -0.187 0.039) 0.314 6.945 ( -0.463 -0.047 0.228) 0.518 7.097 ( 1.148 -1.489 -0.339) 1.911 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -3.516 3.056 0.648) 4.703 0.702 ( -7.205 5.117 0.709) 8.866 1.241 ( -1.278 1.899 0.038) 2.289 1.276 ( -8.820 10.988 -1.333) 14.153 1.472 ( 2.017 1.497 0.948) 2.684 1.516 ( -1.207 -0.248 1.582) 2.006 1.554 ( 4.211 -1.962 -1.324) 4.831 1.629 ( -0.142 -2.445 -1.057) 2.667 1.861 ( -2.145 0.615 0.207) 2.241 1.922 ( -1.489 0.307 1.895) 2.429 1.964 ( 7.105 -9.921 -1.641) 12.312 2.311 ( 2.668 -4.129 -0.325) 4.927 2.429 ( 5.449 -9.302 0.026) 10.781 2.688 ( 3.856 -0.692 0.008) 3.917 3.417 ( 8.158 -8.053 -0.031) 11.463 4.960 ( -0.937 3.042 -0.013) 3.183 5.081 ( -5.091 4.188 -0.048) 6.592 5.561 ( 2.297 -2.594 0.072) 3.466 5.614 ( -1.868 3.856 -0.011) 4.284 5.667 ( -0.415 0.572 0.066) 0.709 5.869 ( -7.875 6.892 -0.006) 10.465 5.974 ( -1.729 0.838 0.175) 1.929 6.089 ( -0.353 1.115 0.045) 1.170 6.363 ( 0.326 -1.414 -0.181) 1.462 6.424 ( 1.227 -0.313 -0.029) 1.267 6.958 ( -0.980 0.024 0.104) 0.986 7.056 ( 1.666 -1.426 -0.245) 2.207 ======================= Grid point 119 (52/125) ======================= q-point: ( 0.78 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -11.201 6.921 -0.000) 13.167 0.860 ( -5.240 3.718 -0.000) 6.425 1.232 ( 0.335 -0.484 0.000) 0.589 1.447 ( 3.922 -2.627 0.000) 4.720 1.459 ( 2.025 1.283 -0.000) 2.397 1.488 ( -2.685 3.854 -0.000) 4.697 1.520 ( 0.278 -2.442 0.000) 2.458 1.663 ( 9.980 -10.307 0.000) 14.347 1.664 ( -6.810 0.966 0.000) 6.878 1.914 ( -5.222 -0.829 0.000) 5.287 2.079 ( -5.563 8.754 -0.000) 10.372 2.227 ( 1.842 -4.187 0.000) 4.574 2.242 ( 5.340 -9.318 0.000) 10.740 2.568 ( 11.226 1.238 -0.000) 11.294 3.230 ( 3.626 -8.207 0.000) 8.972 4.999 ( 0.026 2.960 -0.000) 2.960 5.210 ( -5.488 3.287 -0.000) 6.397 5.488 ( 2.775 -3.445 0.000) 4.423 5.673 ( -0.617 3.507 -0.000) 3.561 5.677 ( 0.116 0.789 -0.000) 0.798 6.013 ( -1.732 0.881 -0.000) 1.944 6.058 ( -7.453 4.732 -0.000) 8.829 6.096 ( 0.404 0.344 -0.000) 0.531 6.329 ( 1.689 -2.402 0.000) 2.937 6.398 ( 1.286 -0.146 -0.000) 1.294 6.979 ( -1.234 0.107 0.000) 1.239 7.014 ( 1.428 -1.154 0.000) 1.836 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 10.382 -0.459 3.825) 11.074 0.683 ( 9.058 -2.501 3.779) 10.128 1.176 ( 10.561 -2.812 0.207) 10.931 1.378 ( 1.137 0.681 -3.558) 3.797 1.407 ( 0.118 -1.030 -0.760) 1.285 1.449 ( 5.306 -1.308 3.129) 6.297 1.585 ( -2.980 2.163 -1.557) 3.998 1.659 ( -3.130 -2.212 -1.899) 4.277 1.881 ( 0.297 -0.145 2.114) 2.139 1.932 ( 6.449 0.589 -0.238) 6.480 2.021 ( -15.040 4.319 0.320) 15.651 2.289 ( -4.563 -0.776 1.208) 4.783 2.478 ( -10.876 0.708 0.177) 10.900 2.640 ( -2.848 3.170 0.107) 4.263 3.374 ( -11.885 0.327 0.446) 11.898 4.947 ( 2.811 -0.050 -0.038) 2.812 5.098 ( 6.424 -1.564 -0.185) 6.615 5.559 ( -2.984 0.536 0.182) 3.038 5.612 ( 3.987 0.061 -0.363) 4.004 5.664 ( 0.759 0.147 0.373) 0.858 5.884 ( 10.420 -2.421 0.202) 10.700 5.978 ( 2.485 -0.303 0.748) 2.612 6.075 ( 0.586 -0.272 -0.044) 0.647 6.380 ( 0.129 0.114 0.433) 0.466 6.414 ( -2.595 0.318 -0.639) 2.691 6.955 ( 0.819 -0.162 1.132) 1.406 7.064 ( -2.065 0.298 -1.090) 2.354 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 7.742 0.000 4.231) 8.823 0.579 ( 1.042 0.000 6.051) 6.140 0.876 ( 19.734 -0.000 0.451) 19.739 1.322 ( 0.327 -0.000 -4.361) 4.373 1.404 ( -0.428 0.000 0.390) 0.579 1.471 ( -1.242 0.000 3.634) 3.840 1.631 ( -2.153 -0.000 -1.871) 2.853 1.664 ( -1.483 -0.000 -2.263) 2.706 1.815 ( 4.571 -0.000 -0.455) 4.593 1.928 ( -1.032 0.000 1.563) 1.874 2.271 ( -11.311 0.000 -0.129) 11.311 2.368 ( -4.048 0.000 0.906) 4.148 2.644 ( -7.786 0.000 0.139) 7.787 2.689 ( -1.707 0.000 0.162) 1.714 3.585 ( -11.736 0.000 0.367) 11.742 4.903 ( 2.094 -0.000 -0.016) 2.094 4.983 ( 5.911 -0.000 -0.150) 5.913 5.541 ( 3.678 -0.000 -0.341) 3.694 5.602 ( -1.759 0.000 0.091) 1.761 5.658 ( 0.454 0.000 0.498) 0.673 5.693 ( 10.428 -0.000 0.078) 10.428 5.950 ( 1.455 0.000 0.825) 1.672 6.059 ( 1.004 -0.000 -0.086) 1.008 6.381 ( 0.176 0.000 0.374) 0.413 6.439 ( -0.899 -0.000 -0.554) 1.056 6.951 ( 0.671 0.000 0.864) 1.094 7.094 ( -2.133 -0.000 -0.744) 2.259 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.000 5.711 1.377) 5.875 0.665 ( -0.000 10.138 4.687) 11.169 0.727 ( 0.000 2.860 -1.282) 3.134 1.245 ( 0.000 -0.240 -1.321) 1.343 1.459 ( -0.000 2.563 1.020) 2.758 1.512 ( -0.000 -0.405 -0.282) 0.494 1.646 ( -0.000 0.242 -1.886) 1.901 1.679 ( 0.000 -0.633 0.545) 0.835 1.746 ( -0.000 1.262 0.064) 1.263 1.933 ( 0.000 -2.636 0.367) 2.661 2.365 ( 0.000 -8.750 -0.045) 8.751 2.432 ( 0.000 -2.838 -0.207) 2.846 2.678 ( 0.000 -4.332 0.050) 4.332 2.757 ( -0.000 -1.872 0.026) 1.872 3.756 ( 0.000 -6.598 0.088) 6.599 4.884 ( 0.000 1.571 0.012) 1.571 4.905 ( 0.000 3.638 -0.029) 3.638 5.503 ( -0.000 2.317 -0.048) 2.318 5.546 ( 0.000 7.296 -0.055) 7.297 5.635 ( 0.000 0.429 0.005) 0.429 5.647 ( 0.000 -1.081 0.177) 1.095 5.934 ( 0.000 0.065 0.109) 0.127 6.048 ( 0.000 1.295 -0.029) 1.295 6.381 ( -0.000 -0.170 -0.084) 0.190 6.442 ( -0.000 -0.023 0.113) 0.115 6.944 ( -0.000 -0.204 0.180) 0.272 7.120 ( 0.000 -1.244 -0.149) 1.253 ======================= Grid point 128 (56/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -5.998 5.468 -0.000) 8.116 0.637 ( 2.692 -3.412 0.000) 4.346 0.947 ( -8.204 18.139 -0.000) 19.908 1.244 ( -0.533 -0.630 0.000) 0.825 1.484 ( 1.060 2.619 -0.000) 2.825 1.510 ( -0.486 -0.113 0.000) 0.499 1.617 ( 2.079 -0.969 0.000) 2.293 1.657 ( 1.092 -1.785 0.000) 2.092 1.789 ( -2.418 3.084 -0.000) 3.919 1.910 ( -0.368 -2.405 0.000) 2.433 2.210 ( 5.652 -12.180 0.000) 13.427 2.386 ( 1.536 -3.717 0.000) 4.022 2.591 ( 3.728 -7.099 0.000) 8.018 2.733 ( 0.605 -1.862 0.000) 1.958 3.626 ( 6.429 -7.837 0.000) 10.136 4.915 ( -1.155 2.341 -0.000) 2.611 4.969 ( -2.808 4.505 -0.000) 5.309 5.546 ( -1.662 3.393 -0.000) 3.778 5.614 ( 1.582 -1.330 0.000) 2.066 5.654 ( -0.763 0.081 0.000) 0.767 5.676 ( -5.569 8.228 -0.000) 9.936 5.945 ( -0.958 0.457 -0.000) 1.061 6.067 ( -0.515 1.492 -0.000) 1.578 6.376 ( 0.067 -0.707 0.000) 0.710 6.440 ( 0.370 -0.149 0.000) 0.399 6.947 ( -0.513 -0.201 0.000) 0.551 7.094 ( 1.206 -1.487 0.000) 1.914 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( 8.722 -1.347 2.505) 9.174 0.900 ( 12.401 -3.110 1.121) 12.834 1.253 ( 0.416 -0.253 -1.375) 1.458 1.381 ( -0.275 0.095 1.725) 1.750 1.415 ( -0.515 -1.359 -0.071) 1.455 1.465 ( -3.006 2.801 -0.232) 4.115 1.598 ( -1.459 -0.029 -2.088) 2.547 1.671 ( 6.171 -5.633 -1.858) 8.560 1.707 ( -13.629 5.369 0.143) 14.649 1.922 ( 1.112 -2.968 2.920) 4.309 2.094 ( 12.693 0.692 0.413) 12.719 2.238 ( -3.114 -0.977 0.569) 3.313 2.280 ( -12.121 -0.077 0.146) 12.122 2.513 ( -4.727 10.174 -0.045) 11.218 3.214 ( -8.322 -2.937 0.381) 8.833 4.990 ( 2.563 0.783 -0.044) 2.681 5.220 ( 5.583 -2.491 -0.109) 6.115 5.492 ( -4.168 0.933 0.189) 4.275 5.665 ( 2.589 0.682 -0.076) 2.678 5.676 ( 1.093 0.698 -0.062) 1.299 6.025 ( 2.134 -0.221 0.228) 2.158 6.067 ( 5.110 -2.104 0.390) 5.540 6.086 ( 2.825 -1.123 -0.134) 3.043 6.341 ( -4.067 1.093 -0.457) 4.236 6.388 ( 0.093 0.032 0.297) 0.313 6.983 ( 1.030 -0.280 1.016) 1.473 7.021 ( -1.572 0.366 -0.846) 1.823 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 8.579 0.088 2.415) 8.913 0.735 ( 8.438 -1.475 2.384) 8.892 1.193 ( 10.405 -2.705 1.905) 10.918 1.306 ( 5.040 -0.752 -4.542) 6.826 1.400 ( -0.744 -0.963 -0.334) 1.262 1.504 ( 0.687 -0.320 3.104) 3.195 1.562 ( -2.632 1.986 -1.172) 3.500 1.623 ( -2.367 -2.222 -2.216) 3.930 1.904 ( 4.115 -0.443 0.448) 4.163 1.942 ( 3.844 0.554 1.296) 4.094 2.024 ( -14.844 4.422 0.139) 15.489 2.303 ( -4.440 -0.260 0.480) 4.474 2.480 ( -10.838 0.752 0.114) 10.864 2.642 ( -2.911 3.222 0.114) 4.344 3.380 ( -11.793 0.472 0.289) 11.806 4.946 ( 2.797 -0.040 -0.019) 2.797 5.095 ( 6.443 -1.560 -0.145) 6.631 5.561 ( -2.963 0.477 0.126) 3.003 5.607 ( 4.031 -0.033 -0.210) 4.037 5.669 ( 0.547 0.196 0.211) 0.618 5.887 ( 10.555 -2.346 0.142) 10.814 5.988 ( 2.167 -0.221 0.417) 2.218 6.074 ( 0.592 -0.327 -0.019) 0.676 6.385 ( 0.087 0.355 0.230) 0.432 6.405 ( -2.474 0.141 -0.385) 2.508 6.971 ( 0.975 -0.030 0.739) 1.224 7.049 ( -2.153 0.251 -0.671) 2.269 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 7.334 -0.000 1.621) 7.511 0.650 ( -1.390 -0.000 2.385) 2.760 0.879 ( 20.504 0.000 -0.022) 20.504 1.272 ( -0.558 -0.000 -1.689) 1.779 1.409 ( -0.953 0.000 0.169) 0.968 1.516 ( 0.726 0.000 1.650) 1.803 1.608 ( -1.916 -0.000 -0.795) 2.074 1.633 ( -2.438 -0.000 -1.205) 2.720 1.811 ( 4.470 -0.000 -0.117) 4.472 1.946 ( -0.509 -0.000 0.637) 0.815 2.270 ( -11.083 -0.000 -0.053) 11.083 2.377 ( -3.970 0.000 0.264) 3.979 2.645 ( -7.773 -0.000 0.054) 7.773 2.691 ( -1.692 -0.000 0.071) 1.694 3.590 ( -11.710 0.000 0.144) 11.711 4.903 ( 2.094 0.000 -0.004) 2.094 4.981 ( 5.855 0.000 -0.068) 5.855 5.538 ( 3.671 0.000 -0.122) 3.673 5.603 ( -1.718 0.000 0.037) 1.719 5.664 ( 0.360 -0.000 0.183) 0.404 5.694 ( 10.529 -0.000 0.031) 10.529 5.959 ( 1.517 0.000 0.251) 1.538 6.058 ( 1.041 0.000 -0.025) 1.041 6.385 ( 0.210 0.000 0.132) 0.248 6.433 ( -1.058 -0.000 -0.183) 1.074 6.961 ( 0.792 -0.000 0.346) 0.864 7.085 ( -2.312 -0.000 -0.279) 2.329 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.562 2.753 0.631) 2.879 1.094 ( 1.561 2.922 0.721) 3.390 1.239 ( -0.099 0.513 -1.649) 1.730 1.353 ( -2.147 -0.212 -0.572) 2.232 1.378 ( -0.720 -0.171 1.374) 1.561 1.467 ( 1.151 -1.540 2.720) 3.331 1.506 ( 0.753 -0.268 0.437) 0.910 1.584 ( -0.905 -1.675 -2.525) 3.162 1.793 ( 3.447 -2.797 -0.533) 4.470 1.982 ( -7.259 -3.880 0.725) 8.263 2.121 ( -2.829 -3.529 0.514) 4.552 2.215 ( -0.711 -1.136 0.421) 1.405 2.262 ( -3.194 7.479 -0.583) 8.153 2.375 ( 13.002 7.257 0.388) 14.895 3.168 ( -2.932 -6.256 0.255) 6.914 5.011 ( 1.426 1.926 -0.022) 2.397 5.303 ( 0.427 -0.023 0.107) 0.441 5.428 ( -1.380 -1.033 -0.003) 1.723 5.675 ( 0.313 0.713 -0.027) 0.779 5.689 ( 1.325 2.100 -0.142) 2.487 6.043 ( -0.550 0.731 0.030) 0.915 6.078 ( 0.369 -0.364 -0.051) 0.521 6.176 ( -1.340 1.168 0.000) 1.777 6.281 ( 0.797 -1.613 -0.077) 1.801 6.393 ( 0.444 0.309 0.176) 0.569 6.984 ( -0.936 0.766 -0.272) 1.240 7.019 ( 1.269 -0.798 0.549) 1.596 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 7.823 -0.840 1.600) 8.029 0.908 ( 12.515 -1.971 -0.154) 12.671 1.233 ( -0.313 -0.045 -0.740) 0.805 1.389 ( -1.250 -1.155 -0.312) 1.730 1.436 ( -1.727 0.399 1.476) 2.306 1.471 ( 1.723 0.773 0.957) 2.117 1.556 ( 0.196 -0.278 -2.403) 2.427 1.653 ( 4.555 -6.028 -0.450) 7.568 1.708 ( -15.081 6.566 -0.018) 16.449 1.956 ( 1.403 -2.915 1.047) 3.400 2.102 ( 12.948 0.681 0.381) 12.972 2.242 ( -3.189 -0.579 0.032) 3.241 2.281 ( -12.159 -0.011 0.055) 12.160 2.513 ( -4.767 10.333 0.020) 11.380 3.219 ( -8.239 -2.767 0.150) 8.692 4.989 ( 2.552 0.768 -0.016) 2.665 5.219 ( 5.698 -2.455 -0.050) 6.205 5.495 ( -4.200 0.918 0.077) 4.300 5.664 ( 3.058 0.787 -0.033) 3.158 5.675 ( 0.495 0.524 -0.022) 0.721 6.028 ( 1.958 -0.149 0.083) 1.965 6.074 ( 5.666 -2.170 0.470) 6.086 6.082 ( 2.298 -1.066 -0.362) 2.559 6.336 ( -4.103 1.005 -0.193) 4.228 6.392 ( 0.192 0.186 0.118) 0.292 6.995 ( 1.025 -0.110 0.400) 1.106 7.011 ( -1.394 0.294 -0.325) 1.461 ======================= Grid point 146 (62/125) ======================= q-point: (-0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 7.884 0.143 -0.000) 7.886 0.755 ( 8.268 -0.975 -0.000) 8.325 1.233 ( 17.466 -3.945 -0.000) 17.906 1.244 ( -1.142 0.204 0.000) 1.160 1.396 ( -1.215 -1.069 0.000) 1.618 1.541 ( 0.650 -0.074 -0.000) 0.654 1.545 ( -3.602 2.508 -0.000) 4.389 1.600 ( -1.983 -2.750 0.000) 3.391 1.906 ( 5.461 -0.487 -0.000) 5.482 1.955 ( 3.051 0.365 -0.000) 3.073 2.025 ( -14.824 4.541 0.000) 15.504 2.306 ( -4.426 -0.055 0.000) 4.426 2.481 ( -10.823 0.768 0.000) 10.850 2.643 ( -2.926 3.240 -0.000) 4.366 3.382 ( -11.758 0.529 0.000) 11.770 4.946 ( 2.791 -0.036 -0.000) 2.791 5.094 ( 6.452 -1.558 -0.000) 6.638 5.563 ( -2.960 0.449 0.000) 2.994 5.605 ( 4.055 -0.059 -0.000) 4.055 5.671 ( 0.466 0.211 -0.000) 0.512 5.888 ( 10.614 -2.319 -0.000) 10.865 5.991 ( 2.073 -0.191 -0.000) 2.082 6.074 ( 0.586 -0.348 0.000) 0.681 6.387 ( -0.022 0.487 -0.000) 0.487 6.402 ( -2.348 0.033 0.000) 2.348 6.978 ( 1.035 0.029 -0.000) 1.035 7.044 ( -2.194 0.227 0.000) 2.206 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -7.424 6.966 0.054) 10.180 0.874 ( -11.395 11.620 0.162) 16.276 1.236 ( 0.944 -0.041 -1.109) 1.458 1.371 ( 0.329 -1.256 -0.282) 1.328 1.412 ( 1.091 -1.731 1.374) 2.464 1.544 ( 1.229 -1.215 1.117) 2.058 1.587 ( 1.666 -0.599 -1.667) 2.432 1.680 ( 11.406 -8.935 0.374) 14.494 1.739 ( -12.794 5.310 0.450) 13.860 1.869 ( 0.618 -2.490 -0.001) 2.566 2.061 ( -4.424 9.708 0.027) 10.668 2.248 ( 4.695 -8.898 0.179) 10.063 2.254 ( 2.288 -2.761 -0.145) 3.589 2.574 ( 10.767 1.476 0.083) 10.868 3.243 ( 3.667 -7.469 0.104) 8.321 4.999 ( 0.049 2.790 0.002) 2.790 5.221 ( -5.765 3.361 0.078) 6.674 5.482 ( 2.954 -3.037 -0.044) 4.237 5.669 ( -0.255 1.802 0.005) 1.820 5.669 ( -0.286 2.132 -0.093) 2.153 6.003 ( -2.412 1.483 -0.091) 2.833 6.052 ( -7.236 4.565 -0.046) 8.556 6.087 ( 0.394 0.237 -0.077) 0.466 6.352 ( 2.440 -2.148 0.157) 3.254 6.403 ( 1.027 0.094 0.025) 1.032 6.960 ( -0.581 1.098 -0.138) 1.250 7.057 ( 1.474 -1.266 0.346) 1.974 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -1.001 3.197 -0.000) 3.351 1.100 ( 2.252 3.073 -0.000) 3.810 1.225 ( -0.470 0.593 -0.000) 0.756 1.348 ( -2.161 -0.302 0.000) 2.182 1.389 ( -0.392 -0.104 0.000) 0.405 1.498 ( -0.087 -0.858 0.000) 0.862 1.521 ( 1.428 -1.694 0.000) 2.216 1.544 ( -0.406 -0.759 0.000) 0.861 1.788 ( 4.116 -3.674 0.000) 5.517 1.989 ( -8.194 -3.019 0.000) 8.733 2.125 ( -2.377 -3.722 0.000) 4.416 2.219 ( -0.552 -1.474 0.000) 1.574 2.256 ( -3.406 8.335 -0.000) 9.004 2.378 ( 12.955 7.099 -0.000) 14.772 3.170 ( -2.894 -6.157 0.000) 6.803 5.011 ( 1.425 1.907 -0.000) 2.380 5.304 ( 0.567 -0.032 -0.000) 0.568 5.428 ( -1.484 -0.975 0.000) 1.775 5.674 ( 0.247 0.724 -0.000) 0.765 5.688 ( 1.344 2.039 -0.000) 2.442 6.043 ( -0.571 0.772 -0.000) 0.960 6.077 ( 0.280 -0.365 0.000) 0.460 6.176 ( -1.534 1.262 -0.000) 1.986 6.280 ( 1.075 -1.756 0.000) 2.059 6.395 ( 0.447 0.386 -0.000) 0.591 6.982 ( -0.909 0.821 -0.000) 1.225 7.024 ( 1.359 -0.777 0.000) 1.565 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -7.933 13.088 -0.000) 15.304 0.593 ( -8.429 8.332 -0.000) 11.852 1.255 ( 1.430 -0.693 0.000) 1.589 1.300 ( -12.120 16.135 -0.000) 20.180 1.384 ( 0.500 -0.684 0.000) 0.848 1.497 ( -1.428 -2.288 0.000) 2.697 1.556 ( -0.818 -1.268 0.000) 1.509 1.719 ( 3.712 -3.737 0.000) 5.267 1.883 ( -1.193 0.616 -0.000) 1.343 1.947 ( -0.322 3.684 -0.000) 3.698 1.969 ( 9.940 -10.852 0.000) 14.716 2.328 ( 3.432 -2.615 0.000) 4.315 2.428 ( 5.217 -9.135 0.000) 10.519 2.688 ( 3.947 -0.230 -0.000) 3.954 3.422 ( 8.036 -7.377 0.000) 10.908 4.962 ( -0.967 2.934 -0.000) 3.090 5.085 ( -5.509 4.189 -0.000) 6.921 5.553 ( 2.287 -2.206 0.000) 3.177 5.616 ( -1.668 3.556 -0.000) 3.928 5.658 ( -0.307 0.834 -0.000) 0.888 5.869 ( -7.619 6.632 -0.000) 10.101 5.941 ( -2.594 2.054 -0.000) 3.309 6.083 ( -0.194 0.826 -0.000) 0.848 6.386 ( 0.880 0.060 -0.000) 0.883 6.431 ( 1.108 -1.328 0.000) 1.730 6.941 ( -0.305 1.126 -0.000) 1.167 7.096 ( 1.276 -1.480 0.000) 1.954 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 10.801 -0.000) 10.801 0.475 ( 0.000 14.546 -0.000) 14.546 1.053 ( 0.000 25.493 -0.000) 25.493 1.284 ( -0.000 -1.714 0.000) 1.714 1.426 ( -0.000 -1.324 0.000) 1.324 1.449 ( -0.000 -3.607 0.000) 3.607 1.511 ( -0.000 -0.053 0.000) 0.053 1.799 ( 0.000 4.193 -0.000) 4.193 1.884 ( -0.000 -4.049 0.000) 4.049 1.946 ( -0.000 -1.481 0.000) 1.481 2.143 ( -0.000 -12.191 0.000) 12.191 2.392 ( -0.000 -3.892 0.000) 3.892 2.553 ( -0.000 -7.493 0.000) 7.493 2.700 ( -0.000 -4.279 0.000) 4.279 3.604 ( -0.000 -7.945 0.000) 7.945 4.920 ( 0.000 2.194 -0.000) 2.194 5.003 ( 0.000 6.159 -0.000) 6.159 5.568 ( 0.000 3.377 -0.000) 3.377 5.598 ( -0.000 -1.643 0.000) 1.643 5.647 ( 0.000 0.730 -0.000) 0.730 5.732 ( 0.000 9.939 -0.000) 9.939 5.892 ( 0.000 2.522 -0.000) 2.522 6.078 ( 0.000 1.439 -0.000) 1.439 6.420 ( -0.000 -1.216 0.000) 1.216 6.428 ( 0.000 0.036 -0.000) 0.036 6.937 ( 0.000 1.113 -0.000) 1.113 7.119 ( -0.000 -1.716 0.000) 1.716 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -4.534 9.883 0.546) 10.887 0.643 ( -2.367 15.171 0.041) 15.354 1.267 ( 0.418 0.176 0.511) 0.683 1.346 ( -4.701 19.594 1.139) 20.182 1.394 ( 1.244 -1.364 -0.000) 1.846 1.421 ( -2.134 -3.247 -1.278) 4.090 1.531 ( -1.232 -1.284 1.555) 2.363 1.764 ( 5.123 -2.559 -0.813) 5.784 1.876 ( -0.661 1.038 -0.799) 1.467 1.940 ( -0.836 -1.349 -2.440) 2.911 1.983 ( 3.292 -9.842 1.612) 10.503 2.338 ( 1.770 -3.877 -0.218) 4.267 2.424 ( 4.920 -9.176 0.019) 10.411 2.676 ( -2.142 -4.617 -0.097) 5.090 3.471 ( 6.284 -7.631 -0.072) 9.886 4.963 ( -2.102 2.366 0.017) 3.165 5.077 ( -1.462 6.326 0.034) 6.493 5.563 ( 1.606 -2.537 0.032) 3.002 5.621 ( -2.020 3.481 -0.037) 4.025 5.659 ( -0.494 0.767 0.024) 0.912 5.855 ( -3.028 9.009 -0.001) 9.504 5.930 ( -1.376 2.254 0.316) 2.660 6.092 ( -0.014 1.330 0.038) 1.330 6.396 ( 0.831 -1.125 -0.335) 1.439 6.430 ( 0.114 -0.522 0.031) 0.535 6.950 ( -0.110 1.294 0.000) 1.298 7.094 ( 0.609 -1.820 -0.338) 1.948 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -6.451 8.268 0.277) 10.490 0.849 ( -5.694 13.905 -1.102) 15.066 1.266 ( 0.827 -0.007 2.301) 2.445 1.366 ( -0.208 -1.492 -0.979) 1.796 1.384 ( 0.139 -2.856 -0.353) 2.881 1.538 ( -0.309 -2.135 1.078) 2.412 1.626 ( 1.591 1.477 -0.636) 2.262 1.644 ( -3.561 7.465 -0.476) 8.285 1.725 ( 6.640 -11.762 -1.727) 13.617 1.874 ( 1.573 -1.057 -0.271) 1.915 2.073 ( -5.272 9.193 -0.173) 10.598 2.238 ( 5.327 -9.609 -0.114) 10.987 2.260 ( 2.477 -3.719 -0.265) 4.476 2.666 ( -0.493 -2.299 -0.188) 2.358 3.260 ( 8.789 -8.348 -0.184) 12.123 5.023 ( -1.489 2.923 0.029) 3.281 5.174 ( -3.480 4.861 -0.031) 5.978 5.497 ( 2.650 -3.515 -0.052) 4.402 5.675 ( -0.402 0.855 0.087) 0.948 5.689 ( -1.639 3.487 0.037) 3.853 5.981 ( -2.074 1.571 0.201) 2.610 5.999 ( -4.842 6.237 0.115) 7.897 6.101 ( 0.449 0.775 0.109) 0.902 6.360 ( 1.384 -2.136 -0.533) 2.600 6.418 ( 0.795 -0.118 0.024) 0.804 6.965 ( -0.256 1.163 -0.055) 1.192 7.060 ( 0.952 -1.591 -0.619) 1.954 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -4.052 5.052 -0.365) 6.487 1.076 ( -7.355 10.650 -2.249) 13.137 1.270 ( 1.203 -0.219 2.434) 2.724 1.344 ( -0.548 -1.618 -1.563) 2.316 1.355 ( 1.363 -1.507 0.604) 2.119 1.468 ( 4.394 -5.842 -1.800) 7.528 1.522 ( 3.581 -3.471 -0.763) 5.045 1.554 ( -0.772 -3.361 0.867) 3.556 1.820 ( 0.213 0.857 -1.545) 1.780 1.850 ( -4.886 2.829 0.953) 5.726 2.072 ( 2.994 -7.585 -0.652) 8.180 2.187 ( 0.767 -2.533 -0.818) 2.770 2.277 ( -4.943 9.111 0.323) 10.371 2.629 ( 6.620 5.158 -0.278) 8.397 3.050 ( 2.522 -11.314 -0.412) 11.599 5.059 ( 0.816 2.825 0.083) 2.941 5.279 ( -3.866 2.938 -0.218) 4.861 5.413 ( 2.299 -3.813 -0.066) 4.453 5.687 ( 0.079 0.783 0.142) 0.800 5.734 ( 0.332 2.850 0.181) 2.875 6.028 ( -1.877 0.855 0.059) 2.064 6.092 ( 1.158 0.051 0.134) 1.167 6.135 ( -5.167 3.638 0.239) 6.324 6.296 ( 2.820 -2.858 -0.405) 4.036 6.404 ( 0.765 0.117 -0.233) 0.808 6.981 ( -0.537 0.763 0.061) 0.935 7.024 ( 1.001 -1.070 -0.856) 1.697 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 4.826 0.205 -2.190) 5.304 1.080 ( 11.603 -0.779 -2.088) 11.815 1.272 ( 0.357 0.279 0.437) 0.630 1.350 ( -1.348 -0.077 -0.520) 1.447 1.388 ( -6.251 1.153 1.765) 6.597 1.426 ( -2.335 0.354 -1.462) 2.777 1.520 ( -6.229 1.813 -0.255) 6.492 1.565 ( -3.595 -2.710 0.654) 4.549 1.767 ( 4.801 -1.750 2.833) 5.843 1.889 ( 1.494 -1.560 -3.384) 4.015 2.081 ( -9.903 -0.569 -0.308) 9.924 2.164 ( -1.621 -1.641 -1.289) 2.642 2.313 ( 8.844 0.485 -0.112) 8.858 2.596 ( 4.122 10.235 -0.052) 11.034 3.007 ( -9.349 -7.610 -0.646) 12.072 5.050 ( 2.778 1.449 0.118) 3.135 5.282 ( 4.015 -1.100 -0.192) 4.167 5.418 ( -4.826 -0.062 -0.111) 4.827 5.688 ( 0.697 0.433 0.042) 0.822 5.734 ( 2.468 1.426 0.346) 2.872 6.055 ( 0.409 0.682 -0.068) 0.799 6.069 ( 0.550 -0.662 0.055) 0.863 6.172 ( 5.454 -0.622 -0.387) 5.503 6.274 ( -4.836 0.062 0.527) 4.865 6.391 ( 0.509 0.044 -0.475) 0.698 6.987 ( 0.863 -0.148 -1.183) 1.471 7.007 ( -1.068 0.016 0.580) 1.216 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 8.746 -0.000 -3.313) 9.353 0.823 ( 14.629 -0.000 -2.596) 14.857 1.256 ( 1.732 -0.000 -0.701) 1.868 1.377 ( -1.397 0.000 1.479) 2.035 1.413 ( 0.733 0.000 0.708) 1.019 1.537 ( -5.608 0.000 1.390) 5.778 1.585 ( -0.668 0.000 0.801) 1.043 1.642 ( 9.643 0.000 1.415) 9.746 1.762 ( -16.604 0.000 -0.864) 16.626 1.849 ( -0.989 -0.000 -2.743) 2.916 2.098 ( 11.602 -0.000 0.126) 11.603 2.201 ( -3.176 -0.000 -1.818) 3.659 2.274 ( -12.647 0.000 -0.253) 12.649 2.628 ( -1.003 0.000 0.013) 1.003 3.161 ( -12.295 0.000 -0.619) 12.310 5.003 ( 3.479 -0.000 0.080) 3.480 5.193 ( 5.522 -0.000 0.050) 5.522 5.498 ( -4.351 0.000 -0.179) 4.354 5.672 ( 1.652 -0.000 -0.056) 1.652 5.691 ( 3.252 0.000 0.297) 3.266 6.018 ( 2.804 -0.000 -0.354) 2.826 6.032 ( 8.171 -0.000 -0.283) 8.176 6.080 ( 0.470 -0.000 -0.003) 0.470 6.362 ( -4.325 0.000 0.616) 4.368 6.380 ( 0.308 -0.000 -0.556) 0.636 6.959 ( 0.921 -0.000 -1.307) 1.599 7.041 ( -1.900 0.000 1.054) 2.172 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 0.000 10.368 1.759) 10.516 0.492 ( 0.000 12.669 2.016) 12.828 1.061 ( 0.000 24.256 0.891) 24.272 1.312 ( 0.000 -1.585 3.196) 3.568 1.404 ( -0.000 -2.116 -4.015) 4.538 1.440 ( 0.000 -1.346 1.621) 2.107 1.548 ( 0.000 -1.509 3.001) 3.359 1.800 ( 0.000 4.218 0.065) 4.218 1.862 ( -0.000 -4.214 -2.745) 5.029 1.917 ( -0.000 -0.938 -3.012) 3.155 2.149 ( -0.000 -12.169 0.555) 12.181 2.388 ( -0.000 -3.943 -0.483) 3.973 2.554 ( -0.000 -7.490 0.097) 7.491 2.699 ( -0.000 -4.387 -0.143) 4.389 3.603 ( -0.000 -7.996 -0.095) 7.997 4.921 ( 0.000 2.208 0.043) 2.209 5.003 ( 0.000 6.138 0.087) 6.139 5.567 ( 0.000 3.385 -0.079) 3.386 5.599 ( -0.000 -1.697 0.200) 1.709 5.647 ( 0.000 0.719 -0.012) 0.719 5.732 ( 0.000 9.964 -0.078) 9.964 5.902 ( 0.000 1.978 1.066) 2.247 6.078 ( 0.000 1.482 0.021) 1.482 6.413 ( -0.000 -1.022 -0.892) 1.357 6.430 ( 0.000 0.022 0.187) 0.188 6.938 ( 0.000 0.989 0.110) 0.995 7.113 ( -0.000 -1.716 -0.589) 1.814 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -3.932 9.503 1.449) 10.386 0.644 ( -2.200 12.886 0.180) 13.074 1.278 ( -0.869 6.305 0.578) 6.391 1.360 ( -0.765 -2.203 -2.832) 3.668 1.383 ( -3.596 12.362 2.548) 13.125 1.428 ( 0.650 -0.863 1.979) 2.255 1.564 ( -1.064 -2.350 2.097) 3.325 1.737 ( 4.805 -2.964 -2.546) 6.193 1.851 ( 0.713 -2.102 -2.060) 3.028 1.903 ( -2.255 1.260 -1.696) 3.090 2.000 ( 2.942 -8.822 0.320) 9.305 2.331 ( 1.584 -4.054 -0.613) 4.395 2.425 ( 4.981 -9.192 0.059) 10.455 2.673 ( -2.258 -4.809 -0.240) 5.318 3.469 ( 6.293 -7.661 -0.147) 9.916 4.963 ( -2.056 2.408 0.043) 3.166 5.078 ( -1.409 6.332 0.058) 6.487 5.564 ( 1.657 -2.686 0.086) 3.157 5.620 ( -2.040 3.519 -0.081) 4.068 5.660 ( -0.588 0.731 0.055) 0.939 5.855 ( -3.084 9.065 0.005) 9.575 5.939 ( -1.241 1.802 0.673) 2.290 6.094 ( -0.044 1.356 0.091) 1.360 6.386 ( 0.662 -1.290 -0.872) 1.692 6.431 ( 0.209 -0.344 0.119) 0.419 6.950 ( -0.189 1.014 -0.033) 1.032 7.085 ( 0.635 -1.810 -0.767) 2.066 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -5.720 8.399 0.344) 10.167 0.827 ( -5.726 11.736 -1.505) 13.145 1.301 ( 0.271 -0.253 -0.142) 0.397 1.343 ( -0.411 -0.943 0.960) 1.407 1.402 ( 1.424 -1.635 1.835) 2.840 1.551 ( 0.645 -2.093 0.364) 2.220 1.604 ( 2.896 -3.859 -1.880) 5.178 1.632 ( -4.470 8.853 -1.435) 10.021 1.698 ( 4.598 -9.780 -1.168) 10.870 1.868 ( 1.428 -1.427 -0.465) 2.072 2.070 ( -5.408 9.301 -0.150) 10.760 2.236 ( 5.158 -9.115 -0.222) 10.475 2.254 ( 2.567 -4.370 -0.527) 5.096 2.662 ( -0.612 -2.541 -0.281) 2.629 3.256 ( 8.940 -8.303 -0.238) 12.203 5.023 ( -1.478 2.991 0.042) 3.336 5.173 ( -3.306 4.920 -0.058) 5.928 5.496 ( 2.608 -3.735 -0.062) 4.556 5.677 ( -0.483 0.872 0.143) 1.007 5.690 ( -1.731 3.496 0.053) 3.901 5.985 ( -1.961 1.399 0.306) 2.428 6.001 ( -4.868 6.292 0.142) 7.957 6.103 ( 0.395 0.735 0.154) 0.848 6.348 ( 1.135 -2.186 -0.852) 2.606 6.419 ( 0.949 -0.177 0.032) 0.966 6.964 ( -0.486 0.837 -0.087) 0.972 7.047 ( 1.003 -1.577 -0.901) 2.075 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -3.197 4.258 -0.212) 5.328 1.034 ( -7.509 9.985 -2.756) 12.794 1.271 ( 0.698 -1.083 -2.197) 2.547 1.362 ( 0.820 -0.379 3.015) 3.148 1.371 ( 1.811 -2.935 1.890) 3.933 1.437 ( 3.504 -6.170 -1.873) 7.339 1.509 ( 2.752 -1.863 -0.819) 3.423 1.563 ( -1.198 -3.720 0.237) 3.916 1.780 ( -2.825 2.831 -3.032) 5.019 1.874 ( -3.019 0.895 1.618) 3.540 2.062 ( 3.618 -7.683 -0.519) 8.508 2.171 ( 0.846 -2.722 -1.149) 3.074 2.282 ( -4.975 8.705 0.248) 10.029 2.625 ( 6.478 5.001 -0.249) 8.187 3.043 ( 2.786 -11.281 -0.424) 11.628 5.060 ( 0.819 2.917 0.096) 3.032 5.275 ( -3.642 2.952 -0.251) 4.695 5.412 ( 2.088 -3.975 -0.059) 4.490 5.690 ( 0.118 0.783 0.176) 0.811 5.737 ( 0.223 2.903 0.201) 2.919 6.029 ( -1.736 0.844 0.107) 1.934 6.095 ( 1.148 -0.060 0.144) 1.159 6.139 ( -5.085 3.750 0.221) 6.322 6.288 ( 2.341 -2.880 -0.541) 3.750 6.400 ( 0.975 -0.006 -0.239) 1.004 6.981 ( -0.695 0.520 -0.022) 0.868 7.009 ( 0.831 -1.050 -0.848) 1.584 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 5.955 -0.549 -1.809) 6.248 1.045 ( 11.214 -1.223 -2.056) 11.467 1.246 ( -0.508 0.240 -2.395) 2.461 1.382 ( -3.175 1.052 2.420) 4.128 1.393 ( -5.838 0.609 0.007) 5.870 1.435 ( -2.174 0.095 2.284) 3.155 1.514 ( -5.454 1.949 -0.532) 5.816 1.567 ( -3.224 -2.738 -0.530) 4.263 1.801 ( -0.996 0.151 -0.035) 1.008 1.842 ( 6.890 -3.558 -0.936) 7.811 2.076 ( -10.044 -0.547 -0.262) 10.063 2.139 ( -1.551 -1.927 -1.621) 2.957 2.311 ( 9.169 0.445 -0.119) 9.181 2.597 ( 3.921 10.202 0.095) 10.930 2.997 ( -9.355 -7.778 -0.567) 12.179 5.052 ( 2.824 1.508 0.112) 3.203 5.279 ( 3.715 -1.138 -0.184) 3.889 5.417 ( -4.679 -0.095 -0.086) 4.681 5.689 ( 0.871 0.417 0.067) 0.968 5.739 ( 2.396 1.493 0.287) 2.838 6.054 ( 0.744 0.740 -0.029) 1.050 6.070 ( 0.435 -0.745 0.125) 0.871 6.165 ( 5.401 -0.761 -0.482) 5.476 6.282 ( -5.017 0.240 0.445) 5.042 6.384 ( 0.600 -0.058 -0.417) 0.733 6.967 ( 1.069 -0.389 -1.089) 1.575 7.017 ( -1.647 0.163 0.581) 1.754 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 9.471 -0.000 -2.118) 9.705 0.785 ( 15.357 -0.000 -1.825) 15.465 1.236 ( -0.084 -0.000 -1.237) 1.240 1.418 ( 0.794 0.000 0.098) 0.800 1.427 ( 0.543 0.000 4.052) 4.089 1.561 ( -5.631 0.000 1.352) 5.791 1.584 ( -3.093 -0.000 -1.556) 3.462 1.640 ( 12.634 -0.000 -0.967) 12.671 1.749 ( -17.173 0.000 -0.759) 17.189 1.828 ( -1.618 0.000 0.122) 1.623 2.104 ( 10.976 -0.000 0.505) 10.988 2.169 ( -3.132 -0.000 -1.931) 3.679 2.270 ( -12.700 0.000 -0.168) 12.701 2.628 ( -0.909 0.000 0.062) 0.912 3.153 ( -12.392 0.000 -0.409) 12.398 5.004 ( 3.526 -0.000 0.059) 3.526 5.193 ( 5.358 -0.000 0.015) 5.358 5.496 ( -4.337 0.000 -0.111) 4.339 5.671 ( 1.421 -0.000 -0.019) 1.421 5.695 ( 3.672 -0.000 0.181) 3.677 6.013 ( 3.159 -0.000 -0.249) 3.169 6.029 ( 8.505 -0.000 -0.101) 8.505 6.079 ( 0.032 -0.000 -0.078) 0.084 6.371 ( -4.367 0.000 0.390) 4.384 6.372 ( 0.321 -0.000 -0.384) 0.501 6.941 ( 0.860 -0.000 -0.850) 1.209 7.056 ( -2.115 0.000 0.707) 2.230 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 9.780 -0.000 -0.000) 9.780 0.769 ( 15.667 -0.000 -0.000) 15.667 1.225 ( -0.813 0.000 0.000) 0.813 1.419 ( 0.668 -0.000 -0.000) 0.668 1.479 ( 1.912 -0.000 -0.000) 1.912 1.549 ( -1.570 0.000 0.000) 1.570 1.573 ( -5.298 0.000 0.000) 5.298 1.633 ( 10.105 -0.000 -0.000) 10.105 1.742 ( -17.589 0.000 0.000) 17.589 1.833 ( -1.153 0.000 0.000) 1.153 2.110 ( 11.501 -0.000 -0.000) 11.501 2.149 ( -3.967 0.000 0.000) 3.967 2.269 ( -12.723 0.000 0.000) 12.723 2.629 ( -0.866 0.000 0.000) 0.866 3.149 ( -12.430 0.000 0.000) 12.430 5.004 ( 3.544 -0.000 -0.000) 3.544 5.193 ( 5.296 -0.000 -0.000) 5.296 5.495 ( -4.331 0.000 0.000) 4.331 5.671 ( 1.362 -0.000 -0.000) 1.362 5.697 ( 3.808 -0.000 -0.000) 3.808 6.011 ( 3.310 -0.000 -0.000) 3.310 6.028 ( 8.742 -0.000 -0.000) 8.742 6.079 ( -0.254 0.000 0.000) 0.254 6.369 ( 0.334 -0.000 -0.000) 0.334 6.374 ( -4.385 0.000 0.000) 4.385 6.933 ( 0.836 -0.000 -0.000) 0.836 7.062 ( -2.207 0.000 0.000) 2.207 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 9.383 2.729) 9.772 0.537 ( 0.000 8.087 3.290) 8.730 1.075 ( 0.000 21.676 0.641) 21.685 1.336 ( -0.000 -1.243 -4.105) 4.289 1.375 ( 0.000 -0.688 4.200) 4.256 1.474 ( 0.000 -1.061 2.306) 2.538 1.593 ( 0.000 -2.286 2.416) 3.325 1.794 ( -0.000 -2.764 -5.333) 6.006 1.801 ( 0.000 4.280 0.100) 4.282 1.874 ( -0.000 -1.791 -1.762) 2.513 2.154 ( -0.000 -12.644 -0.154) 12.645 2.378 ( -0.000 -4.072 -0.741) 4.139 2.556 ( -0.000 -7.483 0.146) 7.485 2.696 ( -0.000 -4.664 -0.200) 4.668 3.601 ( -0.000 -8.134 -0.073) 8.134 4.922 ( 0.000 2.243 0.068) 2.244 5.005 ( 0.000 6.151 0.043) 6.151 5.565 ( 0.000 3.405 -0.121) 3.407 5.604 ( -0.000 -1.876 0.332) 1.905 5.646 ( 0.000 0.690 -0.018) 0.691 5.730 ( 0.000 10.036 -0.102) 10.037 5.921 ( 0.000 1.165 1.099) 1.601 6.078 ( 0.000 1.575 0.037) 1.575 6.395 ( -0.000 -0.834 -1.153) 1.423 6.434 ( 0.000 -0.012 0.286) 0.286 6.940 ( 0.000 0.653 0.104) 0.661 7.102 ( -0.000 -1.781 -0.701) 1.914 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -2.692 8.731 1.681) 9.290 0.649 ( -2.339 9.227 0.456) 9.530 1.279 ( -1.035 7.005 -0.817) 7.128 1.312 ( -2.623 3.721 -2.273) 5.089 1.434 ( -1.454 4.819 3.192) 5.960 1.468 ( 1.253 0.106 2.602) 2.890 1.592 ( -0.530 -2.740 1.189) 3.034 1.684 ( 3.847 -2.814 -3.777) 6.081 1.825 ( 0.872 -4.313 -0.690) 4.454 1.887 ( -2.676 3.492 -0.493) 4.427 1.992 ( 2.757 -9.196 -1.279) 9.685 2.319 ( 1.446 -4.284 -0.809) 4.593 2.426 ( 5.048 -9.211 0.080) 10.504 2.669 ( -2.426 -5.107 -0.265) 5.660 3.467 ( 6.334 -7.693 -0.109) 9.966 4.964 ( -1.984 2.471 0.048) 3.169 5.079 ( -1.342 6.378 0.024) 6.518 5.566 ( 1.731 -2.919 0.112) 3.395 5.618 ( -2.095 3.564 -0.077) 4.135 5.661 ( -0.718 0.673 0.057) 0.986 5.855 ( -3.141 9.172 -0.002) 9.695 5.949 ( -1.115 1.323 0.598) 1.831 6.095 ( -0.093 1.378 0.094) 1.384 6.370 ( 0.431 -1.490 -0.986) 1.838 6.433 ( 0.362 -0.228 0.159) 0.456 6.949 ( -0.341 0.590 -0.112) 0.691 7.072 ( 0.719 -1.849 -0.720) 2.111 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -4.891 9.848 -0.576) 11.011 0.810 ( -5.826 7.689 -0.292) 9.651 1.265 ( -0.133 -0.945 -2.577) 2.748 1.397 ( -0.584 1.407 4.068) 4.344 1.437 ( 2.380 -1.507 2.404) 3.703 1.543 ( 2.764 -1.741 -1.490) 3.591 1.574 ( 0.382 -3.791 -1.819) 4.223 1.598 ( -2.698 4.639 -2.012) 5.731 1.688 ( 3.725 -9.142 -0.368) 9.878 1.861 ( 0.169 -0.914 -0.251) 0.963 2.069 ( -5.698 9.355 0.019) 10.953 2.230 ( 3.864 -6.755 -0.469) 7.796 2.246 ( 3.914 -6.759 -0.396) 7.821 2.658 ( -0.770 -2.830 -0.240) 2.943 3.253 ( 9.128 -8.221 -0.165) 12.286 5.024 ( -1.466 3.067 0.035) 3.399 5.172 ( -3.120 4.996 -0.061) 5.891 5.495 ( 2.568 -3.967 -0.036) 4.726 5.680 ( -0.561 0.855 0.138) 1.032 5.691 ( -1.851 3.540 0.039) 3.995 5.990 ( -1.818 1.211 0.270) 2.201 6.003 ( -4.942 6.410 0.090) 8.094 6.105 ( 0.327 0.677 0.122) 0.761 6.334 ( 0.876 -2.318 -0.779) 2.597 6.419 ( 1.113 -0.206 0.021) 1.133 6.962 ( -0.797 0.494 -0.086) 0.941 7.033 ( 1.116 -1.603 -0.739) 2.089 ======================= Grid point 195 (82/125) ======================= q-point: ( 0.78 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -2.227 3.212 0.124) 3.910 0.993 ( -7.807 9.552 -2.050) 12.505 1.235 ( 0.485 -0.845 -1.808) 2.054 1.379 ( 3.737 -6.387 0.377) 7.410 1.412 ( 2.375 -4.281 -0.954) 4.988 1.440 ( 0.172 -0.559 4.465) 4.503 1.498 ( 1.801 -0.506 -0.509) 1.939 1.560 ( -0.491 -3.325 -0.744) 3.443 1.730 ( -4.057 2.892 -2.802) 5.716 1.897 ( -3.544 0.485 1.085) 3.738 2.056 ( 4.211 -7.514 -0.184) 8.615 2.153 ( 1.218 -3.309 -0.934) 3.648 2.285 ( -5.083 8.601 0.106) 9.991 2.622 ( 6.242 4.841 -0.127) 7.900 3.037 ( 3.060 -11.216 -0.250) 11.629 5.062 ( 0.817 3.000 0.064) 3.110 5.272 ( -3.454 2.953 -0.166) 4.547 5.412 ( 1.927 -4.094 -0.027) 4.525 5.693 ( 0.145 0.788 0.123) 0.811 5.740 ( 0.132 2.949 0.128) 2.955 6.031 ( -1.624 0.869 0.096) 1.844 6.097 ( 1.120 -0.165 0.091) 1.135 6.142 ( -4.962 3.805 0.106) 6.254 6.280 ( 1.875 -2.905 -0.395) 3.480 6.397 ( 1.166 -0.098 -0.144) 1.179 6.979 ( -0.131 -0.077 -0.207) 0.257 6.999 ( -0.014 -0.656 -0.339) 0.738 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 6.626 -1.085 -0.692) 6.749 1.020 ( 10.945 -1.477 -0.869) 11.079 1.216 ( -0.662 0.236 -1.033) 1.249 1.376 ( -8.394 0.759 -0.480) 8.441 1.433 ( -2.212 2.395 1.670) 3.662 1.481 ( -2.960 -1.322 3.009) 4.423 1.505 ( -4.426 1.507 -0.485) 4.701 1.545 ( -2.075 -1.706 -1.979) 3.336 1.773 ( -1.180 -1.399 -1.485) 2.357 1.857 ( 6.607 -2.406 1.033) 7.107 2.073 ( -10.157 -0.601 -0.091) 10.175 2.117 ( -1.446 -2.164 -0.860) 2.741 2.309 ( 9.316 0.443 -0.043) 9.327 2.598 ( 3.805 10.163 0.068) 10.852 2.990 ( -9.346 -7.897 -0.223) 12.238 5.053 ( 2.853 1.548 0.046) 3.246 5.277 ( 3.528 -1.163 -0.076) 3.715 5.416 ( -4.581 -0.115 -0.031) 4.582 5.690 ( 0.974 0.409 0.033) 1.057 5.742 ( 2.360 1.537 0.110) 2.819 6.054 ( 1.048 0.763 -0.005) 1.297 6.072 ( 0.196 -0.751 0.084) 0.780 6.158 ( 5.405 -0.891 -0.240) 5.483 6.287 ( -5.118 0.359 0.171) 5.134 6.379 ( 0.676 -0.126 -0.164) 0.707 6.954 ( 1.147 -0.494 -0.430) 1.321 7.024 ( -1.967 0.204 0.235) 1.991 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 0.000 8.408 2.493) 8.770 0.591 ( 0.000 2.950 3.169) 4.330 1.078 ( 0.000 19.874 -0.219) 19.876 1.276 ( 0.000 -0.695 -3.167) 3.242 1.441 ( -0.000 0.215 3.867) 3.873 1.505 ( -0.000 0.035 1.351) 1.351 1.625 ( 0.000 -2.711 1.504) 3.100 1.706 ( 0.000 -1.359 -5.153) 5.329 1.803 ( 0.000 4.351 0.089) 4.352 1.864 ( -0.000 -2.857 0.396) 2.884 2.143 ( 0.000 -13.803 -1.122) 13.848 2.366 ( 0.000 -4.219 -0.654) 4.269 2.558 ( 0.000 -7.476 0.128) 7.477 2.693 ( 0.000 -4.977 -0.166) 4.980 3.601 ( 0.000 -8.276 -0.012) 8.276 4.923 ( -0.000 2.283 0.060) 2.284 5.005 ( 0.000 6.214 -0.024) 6.214 5.563 ( -0.000 3.426 -0.107) 3.428 5.609 ( 0.000 -2.157 0.326) 2.182 5.646 ( 0.000 0.659 -0.016) 0.659 5.728 ( 0.000 10.181 -0.112) 10.182 5.935 ( -0.000 0.794 0.631) 1.014 6.079 ( 0.000 1.656 0.034) 1.657 6.378 ( 0.000 -0.959 -0.859) 1.287 6.439 ( 0.000 -0.051 0.251) 0.256 6.941 ( 0.000 0.227 0.018) 0.228 7.092 ( 0.000 -1.878 -0.456) 1.932 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -0.546 6.664 0.783) 6.732 0.660 ( -3.573 7.082 0.807) 7.973 1.250 ( -0.253 -0.112 -1.903) 1.923 1.296 ( -4.268 14.560 -0.241) 15.175 1.482 ( -0.674 1.273 2.564) 2.941 1.503 ( 1.527 0.159 1.626) 2.236 1.602 ( 0.579 -3.019 0.181) 3.079 1.623 ( 2.782 -2.235 -3.479) 4.984 1.834 ( 0.377 -3.234 1.419) 3.551 1.886 ( -2.301 2.252 0.551) 3.266 1.960 ( 2.291 -9.811 -2.549) 10.393 2.307 ( 1.479 -4.443 -0.595) 4.720 2.427 ( 5.089 -9.225 0.057) 10.536 2.665 ( -2.569 -5.369 -0.169) 5.955 3.466 ( 6.391 -7.700 -0.040) 10.007 4.965 ( -1.918 2.526 0.031) 3.172 5.079 ( -1.297 6.444 -0.007) 6.573 5.568 ( 1.794 -3.125 0.083) 3.604 5.617 ( -2.159 3.601 -0.045) 4.199 5.661 ( -0.824 0.617 0.036) 1.030 5.855 ( -3.178 9.278 -0.014) 9.807 5.957 ( -1.058 1.066 0.317) 1.535 6.096 ( -0.138 1.380 0.056) 1.388 6.357 ( 0.258 -1.698 -0.631) 1.830 6.436 ( 0.497 -0.187 0.108) 0.542 6.946 ( -0.503 0.223 -0.124) 0.564 7.063 ( 0.827 -1.918 -0.382) 2.123 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( -4.765 10.019 -0.517) 11.107 0.812 ( -5.519 5.653 0.231) 7.904 1.234 ( 0.011 -0.653 -1.090) 1.270 1.457 ( -0.794 1.243 2.799) 3.164 1.479 ( 2.644 -1.089 2.657) 3.903 1.512 ( 1.298 -1.306 -1.804) 2.578 1.534 ( 1.516 0.871 -2.895) 3.382 1.582 ( -3.220 1.162 -0.266) 3.433 1.682 ( 5.480 -12.593 -0.299) 13.737 1.859 ( -1.170 -0.172 -0.018) 1.183 2.070 ( -6.016 9.333 0.062) 11.104 2.223 ( 2.675 -4.580 -0.317) 5.314 2.242 ( 5.259 -8.862 -0.094) 10.305 2.655 ( -0.885 -3.027 -0.093) 3.155 3.251 ( 9.260 -8.150 -0.053) 12.336 5.025 ( -1.459 3.117 0.013) 3.441 5.172 ( -3.006 5.049 -0.027) 5.876 5.495 ( 2.547 -4.108 -0.009) 4.833 5.681 ( -0.594 0.802 0.059) 1.000 5.691 ( -1.947 3.611 0.011) 4.102 5.993 ( -1.703 1.062 0.108) 2.010 6.004 ( -5.028 6.544 0.026) 8.253 6.107 ( 0.279 0.632 0.044) 0.693 6.325 ( 0.718 -2.440 -0.314) 2.563 6.419 ( 1.219 -0.212 0.006) 1.237 6.961 ( -1.034 0.293 -0.040) 1.075 7.024 ( 1.227 -1.649 -0.276) 2.074 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -1.506 2.387 -0.000) 2.822 0.975 ( -8.237 9.731 -0.000) 12.749 1.220 ( 0.446 -0.693 0.000) 0.824 1.380 ( 4.442 -10.184 0.000) 11.110 1.405 ( 1.429 -1.155 0.000) 1.837 1.487 ( 1.077 0.964 -0.000) 1.446 1.495 ( -0.029 -2.167 0.000) 2.167 1.545 ( 1.087 -2.323 0.000) 2.565 1.704 ( -4.981 2.637 -0.000) 5.636 1.906 ( -3.928 0.345 0.000) 3.943 2.055 ( 4.465 -7.326 0.000) 8.579 2.145 ( 1.451 -3.669 0.000) 3.945 2.285 ( -5.137 8.601 -0.000) 10.018 2.621 ( 6.121 4.772 -0.000) 7.761 3.035 ( 3.179 -11.181 0.000) 11.624 5.062 ( 0.815 3.033 -0.000) 3.140 5.270 ( -3.382 2.950 -0.000) 4.488 5.412 ( 1.871 -4.134 0.000) 4.538 5.694 ( 0.153 0.792 -0.000) 0.807 5.741 ( 0.097 2.967 -0.000) 2.968 6.032 ( -1.582 0.890 -0.000) 1.816 6.097 ( 1.102 -0.207 -0.000) 1.121 6.142 ( -4.895 3.809 -0.000) 6.202 6.276 ( 1.677 -2.913 0.000) 3.361 6.396 ( 1.240 -0.131 -0.000) 1.247 6.977 ( 0.340 -0.444 0.000) 0.559 6.997 ( -0.594 -0.370 0.000) 0.700 ======================= Grid point 212 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 7.832 1.026) 7.899 0.630 ( 0.000 -0.610 1.355) 1.486 1.072 ( 0.000 19.566 -0.318) 19.569 1.239 ( 0.000 -0.402 -1.225) 1.289 1.493 ( -0.000 0.260 2.057) 2.073 1.518 ( -0.000 1.327 0.437) 1.397 1.638 ( 0.000 -1.156 -2.704) 2.941 1.641 ( 0.000 -2.915 0.508) 2.959 1.804 ( 0.000 4.397 0.035) 4.397 1.877 ( 0.000 -2.496 0.777) 2.614 2.124 ( 0.000 -15.217 -0.812) 15.238 2.358 ( -0.000 -4.315 -0.259) 4.323 2.559 ( -0.000 -7.472 0.050) 7.472 2.691 ( 0.000 -5.179 -0.064) 5.179 3.601 ( 0.000 -8.352 0.007) 8.352 4.923 ( -0.000 2.309 0.024) 2.309 5.004 ( 0.000 6.264 -0.022) 6.264 5.562 ( -0.000 3.440 -0.042) 3.440 5.613 ( 0.000 -2.398 0.140) 2.403 5.646 ( 0.000 0.638 -0.007) 0.638 5.727 ( 0.000 10.331 -0.056) 10.331 5.941 ( 0.000 0.718 0.189) 0.742 6.079 ( -0.000 1.698 0.013) 1.698 6.369 ( 0.000 -1.155 -0.308) 1.195 6.442 ( 0.000 -0.076 0.099) 0.125 6.941 ( 0.000 -0.076 -0.014) 0.077 7.088 ( 0.000 -1.927 -0.143) 1.932 ======================= Grid point 213 (89/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.209 4.988 -0.000) 4.992 0.668 ( -3.981 7.017 -0.000) 8.068 1.233 ( -0.243 -0.492 0.000) 0.548 1.295 ( -4.547 16.194 -0.000) 16.820 1.503 ( -0.411 -0.756 0.000) 0.861 1.524 ( 1.285 1.355 -0.000) 1.867 1.585 ( 2.818 -2.039 0.000) 3.479 1.604 ( 0.847 -3.389 0.000) 3.493 1.849 ( -0.212 0.663 -0.000) 0.696 1.906 ( -3.961 4.791 -0.000) 6.216 1.922 ( 4.289 -16.538 0.000) 17.085 2.302 ( 1.533 -4.495 0.000) 4.749 2.428 ( 5.103 -9.230 0.000) 10.546 2.664 ( -2.624 -5.473 0.000) 6.070 3.466 ( 6.418 -7.697 0.000) 10.022 4.965 ( -1.892 2.548 -0.000) 3.173 5.079 ( -1.283 6.474 -0.000) 6.600 5.569 ( 1.819 -3.207 0.000) 3.686 5.617 ( -2.188 3.616 -0.000) 4.226 5.662 ( -0.864 0.593 -0.000) 1.048 5.854 ( -3.192 9.321 -0.000) 9.852 5.960 ( -1.046 0.998 -0.000) 1.446 6.097 ( -0.156 1.377 -0.000) 1.386 6.351 ( 0.196 -1.793 0.000) 1.804 6.437 ( 0.551 -0.179 -0.000) 0.579 6.945 ( -0.573 0.079 0.000) 0.578 7.060 ( 0.876 -1.951 0.000) 2.139 ======================= Grid point 219 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 8.017 -0.000 3.070) 8.584 0.862 ( 13.887 -0.000 2.093) 14.044 1.249 ( 1.169 -0.000 -1.169) 1.654 1.387 ( -0.047 0.000 2.245) 2.245 1.395 ( -0.181 -0.000 -1.381) 1.393 1.521 ( -4.371 0.000 -0.544) 4.405 1.570 ( 1.054 -0.000 -0.971) 1.433 1.601 ( 6.190 0.000 -3.170) 6.954 1.775 ( -16.332 -0.000 0.588) 16.343 1.899 ( 0.116 0.000 2.898) 2.900 2.101 ( 12.330 -0.000 0.428) 12.338 2.223 ( -3.515 0.000 0.903) 3.629 2.278 ( -12.592 -0.000 0.218) 12.594 2.628 ( -1.073 0.000 0.086) 1.076 3.171 ( -12.187 0.000 0.538) 12.198 5.001 ( 3.426 0.000 -0.061) 3.427 5.192 ( 5.719 -0.000 -0.071) 5.719 5.501 ( -4.363 0.000 0.166) 4.366 5.673 ( 2.223 -0.000 0.107) 2.225 5.686 ( 2.477 0.000 -0.311) 2.496 6.023 ( 2.445 0.000 0.287) 2.461 6.038 ( 8.275 -0.000 0.404) 8.285 6.079 ( 0.457 0.000 -0.140) 0.478 6.352 ( -4.280 0.000 -0.561) 4.317 6.389 ( 0.320 0.000 0.460) 0.560 6.980 ( 0.987 -0.000 1.152) 1.517 7.025 ( -1.682 -0.000 -0.900) 1.907 ======================= Grid point 229 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 3.666 0.846 1.547) 4.068 1.108 ( 11.839 -0.315 1.190) 11.903 1.246 ( 0.630 0.096 -1.684) 1.800 1.360 ( -3.286 0.220 -1.354) 3.561 1.384 ( -2.510 0.578 2.325) 3.470 1.457 ( -2.606 0.270 2.186) 3.412 1.523 ( -7.717 1.405 0.040) 7.844 1.547 ( -2.940 -1.753 -1.406) 3.701 1.725 ( 6.514 -2.672 -2.149) 7.361 1.935 ( 0.311 -0.926 2.035) 2.257 2.085 ( -9.732 -0.668 0.209) 9.757 2.180 ( -1.816 -1.417 0.653) 2.395 2.314 ( 8.579 0.578 0.021) 8.599 2.598 ( 4.313 10.224 0.139) 11.097 3.016 ( -9.328 -7.475 0.423) 11.961 5.048 ( 2.735 1.401 -0.072) 3.073 5.285 ( 4.292 -1.067 0.114) 4.424 5.420 ( -4.952 -0.030 0.080) 4.953 5.688 ( 0.516 0.452 -0.002) 0.686 5.729 ( 2.562 1.366 -0.241) 2.914 6.056 ( 0.270 0.643 0.063) 0.700 6.068 ( 0.422 -0.571 -0.002) 0.710 6.177 ( 5.512 -0.534 0.182) 5.541 6.267 ( -4.648 -0.087 -0.356) 4.662 6.398 ( 0.454 0.128 0.309) 0.565 6.995 ( -0.725 0.402 -0.245) 0.865 7.007 ( 0.848 -0.456 0.651) 1.162 ======================= Grid point 230 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 7.603 -0.000 1.285) 7.711 0.886 ( 13.458 -0.000 0.777) 13.480 1.232 ( -0.296 -0.000 -0.625) 0.691 1.375 ( -1.038 0.000 -0.749) 1.280 1.428 ( 3.711 -0.000 2.100) 4.264 1.517 ( -3.224 0.000 -0.075) 3.225 1.552 ( -0.794 -0.000 -2.008) 2.159 1.559 ( 5.585 -0.000 -0.623) 5.620 1.781 ( -16.258 -0.000 0.202) 16.259 1.932 ( 0.621 0.000 1.025) 1.198 2.109 ( 12.726 -0.000 0.390) 12.732 2.231 ( -3.940 0.000 0.176) 3.944 2.280 ( -12.560 -0.000 0.085) 12.560 2.630 ( -1.093 0.000 0.062) 1.094 3.177 ( -12.117 0.000 0.211) 12.119 5.001 ( 3.392 0.000 -0.022) 3.392 5.191 ( 5.853 -0.000 -0.035) 5.853 5.503 ( -4.369 0.000 0.067) 4.369 5.675 ( 3.455 -0.000 0.105) 3.457 5.682 ( 1.117 0.000 -0.183) 1.131 6.027 ( 2.232 0.000 0.108) 2.235 6.043 ( 8.888 -0.000 0.225) 8.890 6.077 ( -0.110 0.000 -0.118) 0.161 6.345 ( -4.253 0.000 -0.227) 4.259 6.394 ( 0.340 0.000 0.175) 0.382 6.993 ( 1.029 -0.000 0.456) 1.125 7.014 ( -1.553 -0.000 -0.349) 1.592 ======================= Grid point 239 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -4.579 5.480 0.179) 7.144 1.102 ( -7.289 11.058 0.853) 13.272 1.236 ( 0.845 0.029 -1.225) 1.488 1.346 ( 1.414 -1.264 -0.266) 1.915 1.374 ( -0.719 -1.989 1.120) 2.393 1.493 ( 3.602 -5.736 1.128) 6.866 1.530 ( 3.809 -4.020 -0.062) 5.538 1.539 ( 0.830 -2.750 -0.541) 2.923 1.823 ( 2.880 -1.781 -0.396) 3.410 1.853 ( -6.901 5.217 0.504) 8.666 2.080 ( 2.577 -7.411 0.315) 7.852 2.196 ( 0.940 -2.745 0.278) 2.914 2.273 ( -5.027 9.660 -0.158) 10.891 2.633 ( 6.639 5.250 0.125) 8.465 3.055 ( 2.377 -11.315 0.172) 11.563 5.058 ( 0.810 2.765 -0.032) 2.881 5.282 ( -4.017 2.923 0.085) 4.969 5.414 ( 2.452 -3.693 0.029) 4.433 5.686 ( 0.048 0.788 -0.052) 0.791 5.732 ( 0.407 2.813 -0.073) 2.843 6.027 ( -1.976 0.882 -0.016) 2.164 6.091 ( 1.153 0.117 -0.055) 1.160 6.132 ( -5.198 3.550 -0.104) 6.295 6.300 ( 3.106 -2.852 0.141) 4.219 6.407 ( 0.637 0.204 0.099) 0.676 6.980 ( -0.299 0.850 -0.029) 0.902 7.034 ( 0.982 -1.017 0.351) 1.457 ======================= Grid point 240 (94/125) ======================= q-point: ( 0.44 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 3.138 1.104 -0.000) 3.327 1.118 ( 11.833 -0.097 -0.000) 11.833 1.231 ( 0.702 0.052 -0.000) 0.704 1.348 ( -2.571 -0.129 0.000) 2.575 1.405 ( -3.055 1.383 -0.000) 3.354 1.485 ( -0.737 -1.708 0.000) 1.860 1.518 ( -11.397 1.731 0.000) 11.528 1.532 ( -0.937 -0.373 0.000) 1.008 1.706 ( 7.152 -3.137 0.000) 7.810 1.952 ( 0.011 -0.749 0.000) 0.749 2.087 ( -9.636 -0.733 0.000) 9.664 2.185 ( -1.989 -1.329 0.000) 2.393 2.314 ( 8.522 0.633 -0.000) 8.546 2.600 ( 4.389 10.207 -0.000) 11.111 3.020 ( -9.316 -7.425 0.000) 11.913 5.048 ( 2.717 1.382 -0.000) 3.048 5.286 ( 4.404 -1.055 -0.000) 4.529 5.421 ( -5.001 -0.018 0.000) 5.001 5.688 ( 0.432 0.461 -0.000) 0.632 5.726 ( 2.612 1.343 -0.000) 2.937 6.057 ( 0.262 0.633 -0.000) 0.685 6.068 ( 0.309 -0.535 0.000) 0.618 6.178 ( 5.533 -0.506 -0.000) 5.556 6.264 ( -4.564 -0.144 0.000) 4.567 6.400 ( 0.439 0.160 -0.000) 0.467 6.993 ( -0.697 0.305 -0.000) 0.761 7.013 ( 0.950 -0.329 -0.000) 1.005 ======================= Grid point 248 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -6.720 8.341 -0.000) 10.711 0.859 ( -5.717 14.570 -0.000) 15.651 1.246 ( 0.868 -0.203 -0.000) 0.892 1.366 ( 0.532 -1.068 0.000) 1.193 1.398 ( -0.916 -3.907 0.000) 4.013 1.526 ( -0.529 -1.560 0.000) 1.647 1.629 ( -1.856 7.023 -0.000) 7.264 1.649 ( 0.052 2.468 -0.000) 2.469 1.741 ( 7.327 -12.169 0.000) 14.204 1.876 ( 1.326 -0.636 0.000) 1.471 2.074 ( -5.239 9.137 -0.000) 10.533 2.239 ( 5.290 -9.641 0.000) 10.997 2.263 ( 2.572 -3.593 0.000) 4.418 2.668 ( -0.450 -2.206 0.000) 2.252 3.261 ( 8.734 -8.359 0.000) 12.089 5.023 ( -1.494 2.897 -0.000) 3.259 5.174 ( -3.551 4.840 -0.000) 6.003 5.497 ( 2.668 -3.424 0.000) 4.341 5.675 ( -0.368 0.842 -0.000) 0.919 5.689 ( -1.604 3.489 -0.000) 3.840 5.979 ( -2.116 1.647 -0.000) 2.681 5.998 ( -4.841 6.224 -0.000) 7.885 6.100 ( 0.468 0.788 -0.000) 0.916 6.364 ( 1.489 -2.137 0.000) 2.604 6.418 ( 0.730 -0.082 -0.000) 0.735 6.965 ( -0.173 1.297 -0.000) 1.308 7.065 ( 0.942 -1.605 0.000) 1.861 ======================= Grid point 257 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 0.000 9.816 -0.000) 9.816 0.784 ( 0.000 16.642 -0.000) 16.642 1.262 ( -0.000 -0.598 0.000) 0.598 1.360 ( -0.000 -5.215 0.000) 5.215 1.388 ( -0.000 -2.215 0.000) 2.215 1.509 ( -0.000 -0.145 0.000) 0.145 1.521 ( 0.000 21.287 -0.000) 21.287 1.794 ( -0.000 -3.754 0.000) 3.754 1.866 ( -0.000 -15.605 0.000) 15.605 1.903 ( 0.000 6.294 -0.000) 6.294 1.935 ( 0.000 0.180 -0.000) 0.180 2.318 ( -0.000 -3.367 0.000) 3.367 2.388 ( -0.000 -8.980 0.000) 8.980 2.572 ( -0.000 -9.149 0.000) 9.149 3.463 ( -0.000 -5.863 0.000) 5.863 4.961 ( 0.000 1.797 -0.000) 1.797 5.136 ( 0.000 7.061 -0.000) 7.061 5.551 ( -0.000 -3.124 0.000) 3.124 5.631 ( 0.000 2.848 -0.000) 2.848 5.661 ( 0.000 0.628 -0.000) 0.628 5.924 ( 0.000 9.040 -0.000) 9.040 5.939 ( 0.000 2.045 -0.000) 2.045 6.107 ( 0.000 1.410 -0.000) 1.410 6.388 ( -0.000 -2.072 0.000) 2.072 6.429 ( -0.000 -0.001 0.000) 0.001 6.963 ( 0.000 1.541 -0.000) 1.541 7.082 ( -0.000 -1.970 0.000) 1.970 ======================= Grid point 258 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -3.671 7.967 0.231) 8.776 0.954 ( -1.182 15.947 -0.787) 16.010 1.260 ( 0.366 -0.191 1.313) 1.376 1.320 ( -1.596 -4.910 -0.742) 5.216 1.366 ( 0.473 -1.473 0.697) 1.697 1.511 ( -0.150 -0.759 0.370) 0.858 1.671 ( 1.669 -3.161 -1.539) 3.892 1.686 ( 2.235 -10.253 -0.370) 10.500 1.748 ( 3.083 11.249 -0.421) 11.672 1.899 ( 1.992 0.541 -0.145) 2.069 2.063 ( -6.666 9.284 -0.035) 11.429 2.237 ( 5.501 -9.590 0.002) 11.056 2.270 ( 1.992 -2.676 -0.287) 3.349 2.537 ( -6.304 -9.628 -0.203) 11.510 3.348 ( 7.531 -4.439 -0.043) 8.741 5.001 ( -2.677 1.443 0.043) 3.042 5.204 ( -0.253 6.176 0.078) 6.181 5.501 ( 1.805 -3.668 -0.102) 4.089 5.672 ( -0.642 0.533 0.000) 0.834 5.679 ( -2.434 2.188 -0.010) 3.273 5.966 ( -1.149 1.323 0.100) 1.756 6.015 ( -1.284 6.757 0.052) 6.878 6.116 ( 0.359 0.978 0.025) 1.042 6.359 ( 0.688 -2.274 -0.364) 2.404 6.426 ( 0.333 -0.027 0.053) 0.339 6.978 ( 0.034 1.490 -0.187) 1.502 7.058 ( 0.388 -1.792 -0.313) 1.860 ======================= Grid point 259 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -5.274 4.455 -0.110) 6.904 1.115 ( -3.051 11.722 -1.679) 12.228 1.264 ( 0.618 -0.362 1.991) 2.116 1.309 ( -2.094 -2.561 -0.559) 3.355 1.358 ( 0.388 0.011 0.597) 0.712 1.469 ( 3.225 -9.553 -1.825) 10.246 1.516 ( 0.095 -2.740 -0.365) 2.766 1.582 ( 5.373 -1.638 -0.565) 5.645 1.844 ( -0.963 6.325 -1.175) 6.505 1.866 ( 2.128 1.735 0.102) 2.747 2.059 ( 4.315 -7.964 -0.095) 9.058 2.202 ( 2.609 -1.538 -0.594) 3.086 2.279 ( -5.335 9.132 0.087) 10.577 2.587 ( -9.502 -5.151 -0.420) 10.817 3.131 ( 13.145 -3.802 -0.063) 13.684 5.065 ( -2.635 1.148 0.077) 2.876 5.266 ( -1.342 3.886 0.132) 4.114 5.424 ( 2.809 -3.367 -0.328) 4.397 5.688 ( -0.562 0.388 0.081) 0.688 5.740 ( -2.179 1.411 0.056) 2.596 6.002 ( -1.802 0.547 0.101) 1.886 6.099 ( -2.747 3.243 0.186) 4.254 6.112 ( 0.888 0.412 0.074) 0.981 6.315 ( 1.752 -1.873 -0.555) 2.624 6.418 ( 0.637 0.025 -0.054) 0.639 6.986 ( 0.090 0.877 -0.287) 0.927 7.032 ( 0.509 -1.052 -0.604) 1.315 ======================= Grid point 260 (99/125) ======================= q-point: ( 0.67 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.828 -0.000 -0.907) 2.040 1.257 ( -7.550 -0.000 -1.392) 7.677 1.258 ( 4.023 0.000 0.841) 4.110 1.284 ( 4.183 -0.000 -1.933) 4.608 1.330 ( -1.518 -0.000 -0.627) 1.642 1.387 ( -2.053 0.000 -0.090) 2.055 1.498 ( 2.578 0.000 0.235) 2.589 1.516 ( -0.963 0.000 0.064) 0.965 1.812 ( 3.162 0.000 0.336) 3.180 1.944 ( 3.011 -0.000 -1.291) 3.276 1.945 ( -5.468 0.000 -0.252) 5.474 2.156 ( 0.832 -0.000 -0.851) 1.191 2.374 ( -0.868 0.000 0.065) 0.871 2.763 ( -12.467 0.000 -0.668) 12.484 2.853 ( 15.561 -0.000 -0.096) 15.561 5.090 ( 0.722 0.000 0.146) 0.737 5.335 ( -4.254 0.000 0.063) 4.254 5.345 ( 3.580 -0.000 -0.443) 3.607 5.696 ( 0.045 0.000 0.137) 0.144 5.765 ( 0.371 0.000 0.209) 0.426 6.036 ( -1.817 0.000 0.071) 1.819 6.093 ( 1.551 -0.000 0.045) 1.552 6.182 ( -4.828 0.000 0.444) 4.848 6.255 ( 3.690 -0.000 -0.541) 3.729 6.405 ( 0.698 -0.000 -0.307) 0.763 6.991 ( -0.365 0.000 0.089) 0.376 7.010 ( 0.742 -0.000 -1.010) 1.254 ======================= Grid point 268 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 0.000 9.500 0.948) 9.547 0.777 ( 0.000 15.946 -0.825) 15.967 1.280 ( 0.000 -0.198 2.138) 2.148 1.341 ( -0.000 -4.181 -2.137) 4.696 1.402 ( 0.000 -2.227 1.648) 2.770 1.522 ( 0.000 -1.023 1.336) 1.683 1.524 ( 0.000 20.188 0.319) 20.191 1.777 ( -0.000 -3.453 -2.123) 4.053 1.834 ( -0.000 -12.675 -3.253) 13.086 1.904 ( 0.000 6.307 0.116) 6.309 1.945 ( -0.000 -2.809 0.586) 2.869 2.313 ( -0.000 -3.419 -0.605) 3.472 2.389 ( -0.000 -8.969 0.111) 8.970 2.568 ( -0.000 -9.249 -0.416) 9.258 3.462 ( -0.000 -5.829 -0.108) 5.830 4.962 ( 0.000 1.815 0.082) 1.817 5.137 ( 0.000 7.100 0.109) 7.101 5.551 ( -0.000 -3.244 -0.015) 3.244 5.631 ( 0.000 2.859 -0.056) 2.860 5.660 ( 0.000 0.617 -0.038) 0.618 5.924 ( 0.000 8.923 -0.016) 8.923 5.942 ( 0.000 2.018 0.389) 2.055 6.107 ( 0.000 1.394 0.050) 1.395 6.382 ( -0.000 -2.056 -0.746) 2.187 6.430 ( 0.000 -0.015 0.154) 0.155 6.962 ( 0.000 1.383 -0.229) 1.402 7.077 ( -0.000 -1.956 -0.590) 2.044 ======================= Grid point 269 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -3.429 7.437 0.635) 8.214 0.929 ( -1.047 15.337 -2.205) 15.530 1.290 ( -0.177 -2.061 -0.032) 2.069 1.309 ( -0.811 -1.305 1.710) 2.299 1.388 ( 0.784 -1.834 2.037) 2.851 1.520 ( -0.119 -1.594 0.755) 1.768 1.627 ( 1.970 -9.823 -3.703) 10.681 1.673 ( 2.094 -5.209 -1.292) 5.761 1.735 ( 1.902 11.803 -1.240) 12.019 1.894 ( 2.341 0.459 -0.478) 2.433 2.062 ( -6.562 9.400 -0.087) 11.464 2.237 ( 5.494 -9.366 0.003) 10.859 2.262 ( 1.913 -2.909 -0.733) 3.558 2.531 ( -6.391 -9.709 -0.508) 11.635 3.347 ( 7.552 -4.355 -0.070) 8.718 5.003 ( -2.643 1.475 0.108) 3.029 5.207 ( -0.176 6.338 0.189) 6.343 5.498 ( 1.821 -3.927 -0.241) 4.335 5.672 ( -0.738 0.542 0.004) 0.916 5.678 ( -2.466 2.182 -0.027) 3.293 5.969 ( -1.111 1.213 0.257) 1.665 6.016 ( -1.337 6.807 0.122) 6.938 6.117 ( 0.325 0.925 0.045) 0.982 6.348 ( 0.589 -2.299 -0.962) 2.560 6.428 ( 0.409 -0.060 0.138) 0.435 6.972 ( -0.070 1.226 -0.492) 1.323 7.049 ( 0.408 -1.741 -0.747) 1.939 ======================= Grid point 270 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -4.897 3.997 -0.075) 6.322 1.077 ( -3.157 12.100 -2.905) 12.838 1.269 ( -0.848 -2.080 -1.507) 2.705 1.337 ( 0.362 0.077 4.058) 4.075 1.372 ( 1.456 -1.627 0.944) 2.379 1.426 ( 2.612 -10.560 -3.009) 11.287 1.514 ( -0.269 -1.633 0.053) 1.656 1.568 ( 4.490 -1.501 -1.094) 4.859 1.810 ( -0.632 4.263 -2.853) 5.168 1.870 ( 0.921 3.066 0.347) 3.220 2.059 ( 4.759 -7.542 0.143) 8.920 2.189 ( 2.521 -1.444 -0.995) 3.071 2.280 ( -5.354 8.923 0.076) 10.407 2.578 ( -9.499 -5.388 -0.645) 10.940 3.130 ( 13.247 -3.655 -0.029) 13.742 5.066 ( -2.646 1.178 0.116) 2.899 5.269 ( -1.075 4.236 0.199) 4.374 5.417 ( 2.688 -3.776 -0.468) 4.659 5.690 ( -0.645 0.381 0.132) 0.761 5.741 ( -2.292 1.422 0.084) 2.698 6.004 ( -1.736 0.525 0.184) 1.823 6.102 ( -2.656 3.160 0.284) 4.137 6.114 ( 0.655 0.561 0.076) 0.866 6.302 ( 1.485 -1.959 -0.958) 2.638 6.417 ( 0.849 -0.021 -0.050) 0.851 6.980 ( -0.280 0.737 -0.431) 0.899 7.019 ( 0.639 -1.050 -0.900) 1.523 ======================= Grid point 271 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.638 -0.000 -1.017) 1.201 1.228 ( 7.238 -0.000 -3.072) 7.863 1.228 ( -8.694 -0.000 -2.036) 8.929 1.257 ( -0.559 -0.000 -2.102) 2.175 1.360 ( 0.592 0.000 3.755) 3.801 1.390 ( -1.632 0.000 0.481) 1.702 1.501 ( 1.770 -0.000 0.110) 1.774 1.517 ( -1.140 0.000 0.107) 1.145 1.802 ( 0.041 -0.000 -1.785) 1.785 1.933 ( 5.319 -0.000 0.153) 5.321 1.940 ( -5.514 0.000 -0.339) 5.524 2.138 ( 1.053 -0.000 -1.336) 1.701 2.375 ( -0.812 0.000 0.038) 0.813 2.751 ( -12.488 0.000 -0.766) 12.511 2.853 ( 15.637 -0.000 0.013) 15.637 5.093 ( 0.703 0.000 0.170) 0.723 5.337 ( -3.971 0.000 0.099) 3.973 5.337 ( 3.327 -0.000 -0.508) 3.366 5.699 ( 0.088 0.000 0.177) 0.198 5.769 ( 0.229 0.000 0.231) 0.326 6.038 ( -1.745 0.000 0.151) 1.751 6.093 ( 1.571 -0.000 0.032) 1.571 6.190 ( -4.922 0.000 0.492) 4.946 6.244 ( 3.390 -0.000 -0.765) 3.475 6.400 ( 0.933 -0.000 -0.317) 0.986 6.992 ( 0.947 -0.000 -1.131) 1.475 6.993 ( -0.938 0.000 0.112) 0.945 ======================= Grid point 278 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -0.000 8.678 1.536) 8.813 0.758 ( -0.000 13.955 -1.427) 14.028 1.299 ( -0.000 -2.542 -2.767) 3.757 1.324 ( -0.000 1.601 2.977) 3.380 1.439 ( -0.000 -1.823 2.814) 3.353 1.528 ( -0.000 16.082 0.026) 16.082 1.545 ( -0.000 -2.234 1.447) 2.662 1.729 ( -0.000 -2.663 -3.646) 4.515 1.782 ( -0.000 -11.165 -2.647) 11.474 1.906 ( -0.000 6.338 0.174) 6.340 1.943 ( -0.000 -4.211 -0.846) 4.295 2.300 ( -0.000 -3.545 -0.927) 3.664 2.392 ( -0.000 -8.946 0.166) 8.948 2.560 ( -0.000 -9.500 -0.620) 9.521 3.460 ( -0.000 -5.748 -0.096) 5.749 4.964 ( -0.000 1.861 0.127) 1.865 5.139 ( 0.000 7.216 0.140) 7.217 5.550 ( 0.000 -3.535 -0.013) 3.535 5.629 ( -0.000 2.886 -0.087) 2.887 5.659 ( -0.000 0.590 -0.058) 0.593 5.924 ( 0.000 9.021 0.039) 9.021 5.950 ( -0.000 1.645 0.464) 1.709 6.108 ( -0.000 1.348 0.057) 1.349 6.366 ( -0.000 -2.060 -1.161) 2.365 6.433 ( -0.000 -0.049 0.236) 0.241 6.956 ( -0.000 0.993 -0.423) 1.079 7.065 ( -0.000 -1.954 -0.778) 2.104 ======================= Grid point 279 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -3.112 6.560 0.836) 7.309 0.886 ( -0.919 14.218 -2.800) 14.520 1.263 ( -0.564 -2.007 -1.963) 2.863 1.368 ( -0.215 0.932 4.142) 4.251 1.431 ( 1.387 -2.103 3.097) 3.992 1.532 ( 0.024 -2.326 0.668) 2.420 1.562 ( 1.557 -10.384 -3.904) 11.203 1.645 ( 2.457 -5.475 -2.150) 6.375 1.707 ( 0.712 9.648 -2.180) 9.916 1.885 ( 2.569 1.293 -0.573) 2.932 2.061 ( -6.473 9.585 -0.095) 11.567 2.236 ( 4.770 -7.748 -0.176) 9.100 2.249 ( 2.527 -4.467 -0.674) 5.176 2.522 ( -6.505 -9.825 -0.567) 11.797 3.347 ( 7.590 -4.226 -0.008) 8.687 5.005 ( -2.590 1.525 0.122) 3.008 5.210 ( -0.063 6.594 0.197) 6.597 5.494 ( 1.841 -4.301 -0.237) 4.685 5.672 ( -0.879 0.535 0.011) 1.029 5.678 ( -2.524 2.193 -0.036) 3.343 5.974 ( -1.061 1.062 0.297) 1.531 6.018 ( -1.412 6.921 0.121) 7.064 6.117 ( 0.272 0.830 0.022) 0.874 6.330 ( 0.448 -2.386 -1.157) 2.690 6.430 ( 0.516 -0.097 0.158) 0.548 6.963 ( -0.269 0.844 -0.603) 1.071 7.036 ( 0.479 -1.699 -0.763) 1.923 ======================= Grid point 280 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -4.498 3.357 0.111) 5.614 1.028 ( -3.315 12.325 -2.884) 13.084 1.240 ( -0.359 -1.452 -1.706) 2.269 1.358 ( 2.645 -11.169 -2.676) 11.786 1.402 ( 0.823 -0.432 2.267) 2.451 1.420 ( 2.018 -1.864 3.709) 4.615 1.516 ( -0.055 -1.524 0.238) 1.543 1.548 ( 3.078 -1.215 -1.212) 3.524 1.755 ( -0.912 3.730 -3.860) 5.445 1.875 ( 0.202 2.460 0.176) 2.474 2.063 ( 4.957 -6.649 0.416) 8.304 2.172 ( 2.676 -1.582 -1.005) 3.267 2.281 ( -5.455 8.862 0.017) 10.406 2.568 ( -9.490 -5.655 -0.568) 11.062 3.130 ( 13.350 -3.479 0.043) 13.796 5.068 ( -2.658 1.211 0.099) 2.922 5.272 ( -0.767 4.661 0.163) 4.727 5.410 ( 2.550 -4.256 -0.365) 4.975 5.692 ( -0.748 0.376 0.124) 0.846 5.742 ( -2.418 1.434 0.071) 2.812 6.007 ( -1.680 0.517 0.198) 1.769 6.107 ( -2.462 3.049 0.268) 3.929 6.114 ( 0.311 0.770 0.007) 0.830 6.286 ( 1.198 -2.111 -0.945) 2.605 6.417 ( 1.072 -0.062 -0.023) 1.074 6.974 ( -0.706 0.574 -0.371) 0.982 7.005 ( 0.795 -1.048 -0.766) 1.522 ======================= Grid point 281 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.468 -0.000 -0.653) 0.804 1.182 ( 5.947 -0.000 -2.215) 6.346 1.198 ( -9.576 -0.000 -1.456) 9.686 1.225 ( 0.469 -0.000 -1.582) 1.650 1.399 ( -1.675 0.000 0.466) 1.739 1.425 ( 0.914 0.000 3.591) 3.706 1.502 ( 1.305 -0.000 0.030) 1.305 1.519 ( -0.744 0.000 0.092) 0.750 1.761 ( -1.454 -0.000 -2.660) 3.031 1.935 ( -5.581 0.000 -0.253) 5.586 1.945 ( 5.824 0.000 0.959) 5.902 2.116 ( 1.425 -0.000 -1.188) 1.855 2.376 ( -0.755 0.000 0.005) 0.755 2.740 ( -12.504 0.000 -0.504) 12.514 2.854 ( 15.655 -0.000 0.076) 15.655 5.095 ( 0.678 0.000 0.113) 0.687 5.330 ( 3.114 -0.000 -0.334) 3.132 5.338 ( -3.709 0.000 0.081) 3.710 5.701 ( 0.117 0.000 0.126) 0.172 5.772 ( 0.109 0.000 0.147) 0.183 6.041 ( -1.714 0.000 0.151) 1.721 6.094 ( 1.586 -0.000 0.011) 1.586 6.197 ( -5.004 0.000 0.313) 5.014 6.232 ( 3.126 -0.000 -0.599) 3.182 6.396 ( 1.155 -0.000 -0.189) 1.171 6.976 ( 1.137 -0.000 -0.727) 1.350 6.994 ( -1.444 0.000 0.080) 1.446 ======================= Grid point 282 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.933 -0.000 -0.000) 0.933 1.163 ( 5.507 -0.000 -0.000) 5.507 1.186 ( -9.949 0.000 0.000) 9.949 1.211 ( 0.840 -0.000 -0.000) 0.840 1.403 ( -1.733 0.000 0.000) 1.733 1.458 ( 0.459 -0.000 -0.000) 0.459 1.502 ( 1.163 -0.000 -0.000) 1.163 1.520 ( 0.180 -0.000 -0.000) 0.180 1.736 ( -1.971 0.000 0.000) 1.971 1.933 ( -5.614 0.000 0.000) 5.614 1.954 ( 5.660 -0.000 -0.000) 5.660 2.105 ( 1.643 -0.000 -0.000) 1.643 2.376 ( -0.733 0.000 0.000) 0.733 2.736 ( -12.510 0.000 0.000) 12.510 2.854 ( 15.651 -0.000 -0.000) 15.651 5.096 ( 0.665 -0.000 -0.000) 0.665 5.327 ( 3.032 -0.000 -0.000) 3.032 5.339 ( -3.601 0.000 0.000) 3.601 5.702 ( 0.126 -0.000 -0.000) 0.126 5.773 ( 0.062 -0.000 -0.000) 0.062 6.042 ( -1.714 0.000 0.000) 1.714 6.094 ( 1.591 -0.000 -0.000) 1.591 6.199 ( -5.036 0.000 0.000) 5.036 6.227 ( 3.026 -0.000 -0.000) 3.026 6.394 ( 1.245 -0.000 -0.000) 1.245 6.970 ( 1.215 -0.000 -0.000) 1.215 6.995 ( -1.644 0.000 0.000) 1.644 ======================= Grid point 288 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 7.689 1.461) 7.827 0.735 ( -0.000 11.343 -1.375) 11.426 1.257 ( -0.000 -1.215 -2.271) 2.576 1.370 ( -0.000 5.485 2.579) 6.061 1.488 ( -0.000 -0.088 3.008) 3.009 1.518 ( -0.000 7.646 -1.225) 7.744 1.566 ( -0.000 -2.998 0.993) 3.158 1.666 ( -0.000 -1.097 -3.779) 3.935 1.760 ( -0.000 -11.647 0.142) 11.648 1.909 ( -0.000 6.369 0.149) 6.370 1.918 ( -0.000 -3.420 -2.173) 4.052 2.285 ( -0.000 -3.685 -0.817) 3.775 2.394 ( -0.000 -8.922 0.144) 8.924 2.550 ( -0.000 -9.780 -0.531) 9.794 3.459 ( -0.000 -5.659 -0.017) 5.659 4.966 ( -0.000 1.912 0.112) 1.915 5.141 ( 0.000 7.371 0.095) 7.371 5.550 ( 0.000 -3.845 0.006) 3.845 5.628 ( -0.000 2.917 -0.077) 2.918 5.658 ( -0.000 0.560 -0.051) 0.563 5.925 ( -0.000 9.207 0.034) 9.207 5.956 ( -0.000 1.273 0.344) 1.319 6.109 ( -0.000 1.282 0.032) 1.283 6.347 ( -0.000 -2.144 -1.037) 2.381 6.437 ( -0.000 -0.087 0.207) 0.225 6.949 ( -0.000 0.570 -0.454) 0.729 7.054 ( -0.000 -2.001 -0.554) 2.077 ======================= Grid point 289 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( -2.963 5.691 0.692) 6.453 0.845 ( -0.785 13.119 -2.041) 13.300 1.235 ( -0.191 -0.846 -1.306) 1.568 1.429 ( -0.246 -0.125 2.907) 2.921 1.476 ( 1.654 -4.157 1.390) 4.685 1.519 ( 1.225 -5.094 -0.236) 5.244 1.541 ( 0.196 -2.139 0.379) 2.181 1.610 ( 2.314 -5.586 -1.749) 6.294 1.664 ( 0.545 4.108 -3.142) 5.200 1.877 ( 2.425 2.691 -0.330) 3.637 2.059 ( -6.460 9.739 -0.058) 11.687 2.230 ( 2.375 -3.668 -0.503) 4.399 2.244 ( 4.862 -8.418 -0.069) 9.721 2.514 ( -6.584 -9.919 -0.364) 11.911 3.347 ( 7.628 -4.110 0.036) 8.665 5.006 ( -2.541 1.569 0.079) 2.987 5.212 ( 0.033 6.821 0.115) 6.822 5.491 ( 1.856 -4.605 -0.128) 4.966 5.673 ( -0.986 0.492 0.012) 1.102 5.677 ( -2.593 2.238 -0.028) 3.425 5.978 ( -1.028 0.959 0.197) 1.419 6.020 ( -1.471 7.050 0.067) 7.202 6.118 ( 0.224 0.731 -0.001) 0.765 6.314 ( 0.331 -2.514 -0.790) 2.655 6.433 ( 0.608 -0.121 0.103) 0.628 6.954 ( -0.481 0.540 -0.422) 0.837 7.026 ( 0.578 -1.702 -0.444) 1.852 ======================= Grid point 290 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -4.273 2.711 0.157) 5.062 0.992 ( -3.417 12.560 -1.283) 13.080 1.220 ( 0.090 -1.063 -0.717) 1.285 1.323 ( 2.018 -12.363 -1.232) 12.587 1.426 ( 2.708 -1.472 0.870) 3.203 1.478 ( 1.707 -1.532 2.072) 3.091 1.520 ( 1.308 0.240 -0.046) 1.331 1.538 ( 1.035 -1.900 0.376) 2.196 1.696 ( -1.671 3.844 -2.668) 4.969 1.876 ( -0.116 1.793 0.032) 1.797 2.070 ( 4.877 -5.876 0.257) 7.640 2.159 ( 2.933 -1.800 -0.458) 3.472 2.281 ( -5.541 8.880 -0.005) 10.467 2.561 ( -9.481 -5.829 -0.225) 11.131 3.131 ( 13.410 -3.361 0.035) 13.825 5.069 ( -2.665 1.233 0.039) 2.937 5.274 ( -0.564 4.948 0.059) 4.980 5.406 ( 2.461 -4.570 -0.129) 5.192 5.694 ( -0.818 0.374 0.051) 0.901 5.743 ( -2.500 1.441 0.027) 2.885 6.010 ( -1.657 0.525 0.090) 1.740 6.111 ( -2.541 3.262 0.166) 4.138 6.114 ( 0.299 0.639 -0.070) 0.708 6.274 ( 1.020 -2.249 -0.399) 2.502 6.416 ( 1.206 -0.082 -0.006) 1.209 6.969 ( -0.989 0.465 -0.144) 1.103 6.996 ( 0.905 -1.047 -0.296) 1.415 ======================= Grid point 298 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -0.000 6.996 0.614) 7.023 0.718 ( -0.000 9.456 -0.570) 9.473 1.230 ( -0.000 -0.438 -0.891) 0.993 1.403 ( -0.000 11.103 1.284) 11.177 1.494 ( -0.000 0.208 -1.206) 1.224 1.535 ( -0.000 0.308 2.391) 2.411 1.577 ( -0.000 -3.350 0.347) 3.368 1.611 ( -0.000 -0.259 -2.694) 2.707 1.779 ( -0.000 -15.627 1.466) 15.696 1.881 ( -0.000 0.594 -1.885) 1.977 1.911 ( -0.000 6.387 0.058) 6.387 2.276 ( -0.000 -3.776 -0.323) 3.790 2.396 ( -0.000 -8.907 0.057) 8.907 2.544 ( -0.000 -9.957 -0.206) 9.959 3.459 ( -0.000 -5.598 0.010) 5.598 4.967 ( -0.000 1.945 0.044) 1.945 5.142 ( -0.000 7.482 0.030) 7.482 5.550 ( 0.000 -4.034 0.008) 4.034 5.627 ( -0.000 2.936 -0.031) 2.937 5.658 ( -0.000 0.541 -0.020) 0.542 5.925 ( -0.000 9.312 0.008) 9.312 5.960 ( -0.000 1.111 0.125) 1.118 6.109 ( -0.000 1.233 0.009) 1.233 6.335 ( -0.000 -2.243 -0.413) 2.281 6.440 ( -0.000 -0.112 0.082) 0.139 6.943 ( -0.000 0.309 -0.202) 0.369 7.047 ( -0.000 -2.058 -0.186) 2.066 ======================= Grid point 299 (113/125) ======================= q-point: ( 0.89 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -3.093 5.136 -0.000) 5.995 0.827 ( -0.570 12.837 -0.000) 12.850 1.224 ( -0.020 -0.387 0.000) 0.388 1.450 ( 0.367 -7.604 0.000) 7.613 1.482 ( 0.532 0.182 -0.000) 0.562 1.537 ( 1.209 -3.019 0.000) 3.252 1.540 ( 1.238 0.336 -0.000) 1.282 1.610 ( 0.558 6.588 -0.000) 6.611 1.616 ( 1.764 -10.850 0.000) 10.992 1.874 ( 2.279 3.329 -0.000) 4.034 2.059 ( -6.470 9.794 -0.000) 11.738 2.225 ( 1.925 -2.987 0.000) 3.554 2.243 ( 5.301 -9.028 0.000) 10.470 2.511 ( -6.611 -9.954 0.000) 11.950 3.347 ( 7.644 -4.063 0.000) 8.657 5.007 ( -2.522 1.586 -0.000) 2.979 5.213 ( 0.069 6.909 -0.000) 6.910 5.490 ( 1.862 -4.716 0.000) 5.071 5.673 ( -1.020 0.455 -0.000) 1.117 5.677 ( -2.630 2.275 -0.000) 3.477 5.980 ( -1.018 0.927 -0.000) 1.377 6.021 ( -1.493 7.106 -0.000) 7.261 6.118 ( 0.205 0.688 -0.000) 0.718 6.307 ( 0.285 -2.577 0.000) 2.593 6.433 ( 0.644 -0.129 -0.000) 0.657 6.951 ( -0.573 0.430 -0.000) 0.716 7.022 ( 0.625 -1.715 0.000) 1.826 ======================= Grid point 326 (114/125) ======================= q-point: ( 0.44 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -2.592 -0.000 0.361) 2.618 1.235 ( 1.458 -0.000 -1.026) 1.783 1.271 ( -6.481 -0.000 0.373) 6.491 1.311 ( 7.931 0.000 0.957) 7.988 1.349 ( -3.304 -0.000 0.822) 3.405 1.391 ( -2.983 -0.000 0.278) 2.996 1.494 ( 3.437 -0.000 -0.164) 3.440 1.515 ( -0.755 -0.000 -0.007) 0.755 1.803 ( 5.107 -0.000 -0.428) 5.125 1.948 ( -5.455 0.000 0.088) 5.456 1.963 ( 1.645 -0.000 0.710) 1.792 2.165 ( 0.768 -0.000 0.263) 0.812 2.374 ( -0.893 -0.000 -0.034) 0.894 2.771 ( -12.451 -0.000 0.262) 12.454 2.855 ( 15.476 -0.000 0.066) 15.476 5.089 ( 0.728 -0.000 -0.057) 0.731 5.335 ( -4.429 0.000 -0.019) 4.429 5.351 ( 3.751 -0.000 0.174) 3.756 5.695 ( 0.010 -0.000 -0.049) 0.050 5.762 ( 0.466 -0.000 -0.084) 0.474 6.036 ( -1.881 -0.000 -0.015) 1.881 6.092 ( 1.537 -0.000 -0.022) 1.538 6.177 ( -4.767 -0.000 -0.179) 4.770 6.261 ( 3.876 -0.000 0.183) 3.880 6.409 ( 0.560 -0.000 0.129) 0.575 6.990 ( 0.008 -0.000 -0.033) 0.034 7.022 ( 0.615 -0.000 0.403) 0.735 ======================= Grid point 336 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -5.427 4.618 -0.000) 7.125 1.129 ( -3.025 11.480 -0.000) 11.872 1.245 ( 0.645 -0.031 -0.000) 0.645 1.316 ( -2.567 -3.284 0.000) 4.168 1.353 ( 0.124 0.439 -0.000) 0.456 1.483 ( 2.687 -7.148 0.000) 7.637 1.521 ( 0.953 -4.955 0.000) 5.046 1.586 ( 5.697 -1.578 -0.000) 5.912 1.851 ( -0.951 8.319 -0.000) 8.373 1.867 ( 2.480 -0.078 -0.000) 2.481 2.060 ( 4.075 -8.015 0.000) 8.991 2.207 ( 2.714 -1.651 0.000) 3.177 2.278 ( -5.361 9.280 -0.000) 10.717 2.591 ( -9.502 -5.057 0.000) 10.764 3.132 ( 13.102 -3.858 -0.000) 13.658 5.064 ( -2.631 1.136 -0.000) 2.866 5.265 ( -1.445 3.757 -0.000) 4.025 5.426 ( 2.856 -3.210 0.000) 4.297 5.688 ( -0.531 0.391 -0.000) 0.660 5.739 ( -2.134 1.406 -0.000) 2.556 6.001 ( -1.831 0.558 0.000) 1.914 6.097 ( -2.767 3.273 -0.000) 4.286 6.112 ( 0.965 0.360 -0.000) 1.030 6.319 ( 1.860 -1.849 0.000) 2.622 6.419 ( 0.549 0.045 -0.000) 0.551 6.989 ( 0.236 0.931 -0.000) 0.960 7.037 ( 0.459 -1.052 0.000) 1.148 ======================= Grid point 346 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 0.000 5.127 -0.000) 5.127 1.104 ( 0.000 14.448 -0.000) 14.448 1.255 ( -0.000 -0.364 0.000) 0.364 1.265 ( -0.000 -3.524 0.000) 3.524 1.354 ( -0.000 -0.663 0.000) 0.663 1.506 ( -0.000 -0.083 0.000) 0.083 1.558 ( -0.000 -14.314 0.000) 14.314 1.692 ( -0.000 -1.094 0.000) 1.094 1.871 ( 0.000 4.180 -0.000) 4.180 2.024 ( 0.000 13.638 -0.000) 13.638 2.043 ( 0.000 7.858 -0.000) 7.858 2.211 ( -0.000 -8.887 0.000) 8.887 2.270 ( -0.000 -1.319 0.000) 1.319 2.339 ( -0.000 -14.288 0.000) 14.288 3.386 ( -0.000 -1.943 0.000) 1.943 4.986 ( 0.000 0.678 -0.000) 0.678 5.259 ( 0.000 4.548 -0.000) 4.548 5.484 ( -0.000 -2.986 0.000) 2.986 5.669 ( 0.000 0.245 -0.000) 0.245 5.671 ( 0.000 1.097 -0.000) 1.097 5.967 ( 0.000 0.717 -0.000) 0.717 6.063 ( 0.000 4.333 -0.000) 4.333 6.128 ( 0.000 0.621 -0.000) 0.621 6.346 ( -0.000 -1.722 0.000) 1.722 6.429 ( -0.000 -0.010 0.000) 0.010 6.995 ( 0.000 1.460 -0.000) 1.460 7.045 ( -0.000 -1.603 0.000) 1.603 ======================= Grid point 347 (117/125) ======================= q-point: ( 0.56 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.426 0.000 0.002) 3.426 1.184 ( 0.490 -0.000 -0.733) 0.882 1.252 ( -0.204 0.000 0.496) 0.536 1.262 ( -1.267 0.000 0.796) 1.497 1.359 ( -0.248 0.000 0.318) 0.403 1.452 ( 1.275 -0.000 -1.492) 1.962 1.506 ( 0.025 -0.000 0.002) 0.025 1.656 ( 3.273 -0.000 -0.530) 3.316 1.880 ( 0.408 -0.000 -0.799) 0.897 1.970 ( 7.081 -0.000 -0.125) 7.082 2.081 ( 4.593 -0.000 0.157) 4.596 2.243 ( 2.180 -0.000 -0.374) 2.212 2.266 ( -4.085 0.000 0.050) 4.086 2.340 ( -12.891 0.000 -0.249) 12.894 3.305 ( 8.279 -0.000 -0.010) 8.279 5.016 ( -2.878 0.000 0.054) 2.879 5.282 ( 0.162 0.000 0.208) 0.264 5.449 ( 1.914 -0.000 -0.267) 1.932 5.678 ( -0.732 0.000 -0.003) 0.732 5.701 ( -2.596 0.000 -0.005) 2.596 5.979 ( -1.053 0.000 0.068) 1.055 6.090 ( -0.652 0.000 0.073) 0.656 6.127 ( 0.514 -0.000 0.012) 0.514 6.329 ( 0.728 -0.000 -0.383) 0.823 6.426 ( 0.318 0.000 0.040) 0.320 6.999 ( 0.298 -0.000 -0.319) 0.437 7.033 ( 0.107 -0.000 -0.255) 0.277 ======================= Grid point 357 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( -0.000 4.897 0.259) 4.904 1.091 ( -0.000 14.495 -1.661) 14.590 1.260 ( -0.000 -3.105 -0.590) 3.161 1.279 ( 0.000 -0.116 2.838) 2.840 1.364 ( -0.000 -1.035 1.229) 1.607 1.509 ( -0.000 -0.313 0.259) 0.406 1.533 ( -0.000 -14.309 -2.882) 14.597 1.682 ( -0.000 -1.205 -1.158) 1.671 1.857 ( 0.000 4.168 -1.755) 4.523 2.024 ( -0.000 13.265 -0.040) 13.265 2.044 ( 0.000 7.839 0.114) 7.840 2.212 ( 0.000 -8.856 0.132) 8.857 2.265 ( -0.000 -1.346 -0.681) 1.508 2.335 ( -0.000 -14.133 -0.420) 14.140 3.385 ( -0.000 -1.917 -0.023) 1.917 4.987 ( -0.000 0.687 0.116) 0.696 5.261 ( -0.000 4.690 0.326) 4.701 5.481 ( -0.000 -3.160 -0.362) 3.180 5.669 ( 0.000 0.241 -0.057) 0.248 5.671 ( -0.000 1.101 -0.036) 1.102 5.968 ( 0.000 0.691 0.157) 0.708 6.064 ( -0.000 4.356 0.094) 4.357 6.128 ( -0.000 0.611 -0.003) 0.611 6.340 ( -0.000 -1.749 -0.775) 1.913 6.430 ( -0.000 -0.015 0.131) 0.132 6.990 ( -0.000 1.310 -0.583) 1.434 7.040 ( -0.000 -1.520 -0.503) 1.601 ======================= Grid point 358 (119/125) ======================= q-point: ( 0.67 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.251 0.000 0.020) 3.252 1.160 ( 0.353 -0.000 -2.226) 2.254 1.247 ( -0.834 -0.000 -0.721) 1.102 1.306 ( -0.052 0.000 4.079) 4.080 1.371 ( 0.043 0.000 1.283) 1.284 1.407 ( 0.998 -0.000 -3.817) 3.945 1.507 ( 0.163 0.000 0.094) 0.188 1.639 ( 2.985 -0.000 -1.505) 3.343 1.854 ( 0.205 -0.000 -2.481) 2.490 1.966 ( 7.038 -0.000 -0.346) 7.046 2.086 ( 4.561 0.000 0.482) 4.586 2.232 ( 2.056 -0.000 -0.905) 2.246 2.267 ( -4.013 0.000 0.073) 4.013 2.332 ( -12.861 0.000 -0.624) 12.876 3.305 ( 8.281 -0.000 0.015) 8.281 5.017 ( -2.848 0.000 0.137) 2.851 5.288 ( 0.250 0.000 0.548) 0.603 5.441 ( 1.912 -0.000 -0.676) 2.029 5.678 ( -0.817 0.000 -0.007) 0.817 5.701 ( -2.641 0.000 -0.014) 2.641 5.981 ( -1.031 0.000 0.185) 1.048 6.092 ( -0.708 0.000 0.203) 0.736 6.127 ( 0.474 -0.000 0.001) 0.474 6.317 ( 0.622 -0.000 -1.037) 1.209 6.427 ( 0.411 0.000 0.110) 0.426 6.990 ( 0.105 -0.000 -0.808) 0.815 7.026 ( 0.201 -0.000 -0.626) 0.658 ======================= Grid point 368 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( -0.000 4.289 0.408) 4.309 1.052 ( -0.000 14.415 -3.002) 14.724 1.247 ( 0.000 -2.082 -0.902) 2.269 1.341 ( 0.000 0.682 4.501) 4.553 1.395 ( 0.000 -1.999 2.554) 3.244 1.473 ( -0.000 -14.358 -4.149) 14.946 1.514 ( -0.000 -0.833 0.382) 0.916 1.655 ( -0.000 -1.363 -2.174) 2.566 1.815 ( 0.000 3.899 -3.368) 5.153 2.022 ( -0.000 12.479 -0.180) 12.480 2.046 ( 0.000 7.784 0.165) 7.786 2.215 ( -0.000 -8.758 0.206) 8.760 2.250 ( -0.000 -1.429 -1.047) 1.772 2.327 ( -0.000 -13.682 -0.586) 13.695 3.385 ( -0.000 -1.855 0.027) 1.855 4.990 ( -0.000 0.708 0.177) 0.730 5.268 ( -0.000 5.080 0.499) 5.105 5.473 ( -0.000 -3.618 -0.527) 3.656 5.668 ( -0.000 0.231 -0.086) 0.246 5.670 ( -0.000 1.115 -0.056) 1.116 5.971 ( 0.000 0.630 0.252) 0.679 6.066 ( -0.000 4.439 0.158) 4.442 6.127 ( -0.000 0.572 -0.043) 0.574 6.322 ( -0.000 -1.837 -1.263) 2.229 6.432 ( -0.000 -0.030 0.200) 0.202 6.977 ( -0.000 0.956 -0.933) 1.336 7.030 ( -0.000 -1.340 -0.698) 1.511 ======================= Grid point 369 (121/125) ======================= q-point: ( 0.78 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -3.031 0.000 0.060) 3.031 1.116 ( 0.198 -0.000 -2.944) 2.950 1.233 ( -0.236 -0.000 -0.958) 0.987 1.333 ( 0.194 -0.000 -4.143) 4.148 1.390 ( 0.727 0.000 5.156) 5.207 1.400 ( 0.541 0.000 2.260) 2.323 1.509 ( 0.277 0.000 0.177) 0.329 1.609 ( 2.444 -0.000 -2.216) 3.299 1.801 ( -0.062 -0.000 -3.976) 3.976 1.959 ( 6.971 -0.000 -0.448) 6.985 2.095 ( 4.335 0.000 0.654) 4.384 2.215 ( 2.039 -0.000 -1.039) 2.289 2.268 ( -3.986 0.000 0.053) 3.987 2.321 ( -12.797 0.000 -0.699) 12.816 3.306 ( 8.282 -0.000 0.088) 8.282 5.020 ( -2.801 0.000 0.155) 2.805 5.299 ( 0.385 0.000 0.666) 0.769 5.429 ( 1.906 -0.000 -0.770) 2.056 5.678 ( -0.950 0.000 -0.006) 0.950 5.700 ( -2.708 0.000 -0.017) 2.708 5.985 ( -1.007 0.000 0.236) 1.034 6.096 ( -0.788 0.000 0.270) 0.833 6.126 ( 0.416 -0.000 -0.061) 0.420 6.298 ( 0.479 -0.000 -1.296) 1.382 6.429 ( 0.535 0.000 0.134) 0.552 6.975 ( -0.196 -0.000 -0.918) 0.939 7.015 ( 0.350 -0.000 -0.675) 0.761 ======================= Grid point 379 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( -0.000 3.548 0.372) 3.567 1.001 ( -0.000 14.259 -2.931) 14.557 1.233 ( -0.000 -0.959 -0.797) 1.247 1.387 ( 0.000 -9.678 -2.049) 9.892 1.425 ( -0.000 -2.862 2.545) 3.830 1.459 ( 0.000 -3.377 4.291) 5.461 1.520 ( -0.000 -1.336 0.323) 1.375 1.614 ( -0.000 -1.419 -2.800) 3.139 1.750 ( 0.000 3.251 -4.472) 5.529 2.018 ( -0.000 11.725 -0.280) 11.729 2.049 ( 0.000 7.713 0.137) 7.715 2.218 ( -0.000 -8.540 0.185) 8.542 2.233 ( 0.000 -1.621 -0.925) 1.866 2.318 ( -0.000 -13.070 -0.456) 13.078 3.386 ( -0.000 -1.788 0.088) 1.790 4.992 ( -0.000 0.732 0.156) 0.749 5.276 ( -0.000 5.582 0.431) 5.598 5.465 ( -0.000 -4.174 -0.425) 4.196 5.666 ( -0.000 0.217 -0.075) 0.230 5.669 ( -0.000 1.131 -0.051) 1.132 5.975 ( 0.000 0.578 0.236) 0.624 6.069 ( -0.000 4.588 0.154) 4.591 6.126 ( -0.000 0.494 -0.080) 0.501 6.302 ( -0.000 -1.979 -1.191) 2.310 6.436 ( -0.000 -0.047 0.176) 0.182 6.962 ( -0.000 0.616 -0.856) 1.054 7.020 ( -0.000 -1.203 -0.546) 1.321 ======================= Grid point 380 (123/125) ======================= q-point: ( 0.89 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -2.915 0.000 0.080) 2.916 1.073 ( 0.143 -0.000 -2.101) 2.106 1.217 ( 0.557 -0.000 -0.942) 1.095 1.272 ( -0.273 -0.000 -2.711) 2.725 1.440 ( 1.223 0.000 2.434) 2.724 1.476 ( 1.356 0.000 4.505) 4.705 1.514 ( 0.057 0.000 0.849) 0.851 1.571 ( 1.680 -0.000 -2.317) 2.862 1.730 ( -0.428 -0.000 -4.422) 4.442 1.953 ( 6.910 -0.000 -0.327) 6.918 2.105 ( 4.004 0.000 0.485) 4.033 2.200 ( 2.091 -0.000 -0.713) 2.209 2.269 ( -3.929 0.000 0.026) 3.929 2.311 ( -12.721 0.000 -0.449) 12.729 3.307 ( 8.282 -0.000 0.099) 8.282 5.022 ( -2.758 0.000 0.100) 2.760 5.308 ( 0.506 0.000 0.462) 0.685 5.418 ( 1.896 -0.000 -0.503) 1.962 5.677 ( -1.072 0.000 -0.002) 1.072 5.700 ( -2.765 0.000 -0.012) 2.765 5.989 ( -0.995 0.000 0.172) 1.010 6.100 ( -0.864 0.000 0.215) 0.890 6.125 ( 0.375 -0.000 -0.091) 0.386 6.279 ( 0.368 -0.000 -0.918) 0.989 6.431 ( 0.633 0.000 0.090) 0.639 6.962 ( -0.464 -0.000 -0.599) 0.758 7.006 ( 0.483 -0.000 -0.420) 0.640 ======================= Grid point 382 (124/125) ======================= q-point: ( 1.00 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -2.903 0.000 0.000) 2.903 1.055 ( 0.153 -0.000 -0.000) 0.153 1.208 ( 0.949 -0.000 -0.000) 0.949 1.251 ( -0.573 0.000 0.000) 0.573 1.466 ( 1.873 -0.000 -0.000) 1.873 1.503 ( 1.383 -0.000 -0.000) 1.383 1.542 ( 0.566 -0.000 -0.000) 0.566 1.546 ( 0.989 -0.000 -0.000) 0.989 1.683 ( -0.918 0.000 0.000) 0.918 1.950 ( 6.885 -0.000 -0.000) 6.885 2.109 ( 3.837 -0.000 -0.000) 3.837 2.194 ( 2.135 -0.000 -0.000) 2.135 2.269 ( -3.896 0.000 0.000) 3.896 2.307 ( -12.685 0.000 0.000) 12.685 3.308 ( 8.281 -0.000 -0.000) 8.281 5.023 ( -2.740 0.000 0.000) 2.740 5.312 ( 0.555 -0.000 -0.000) 0.555 5.414 ( 1.891 -0.000 -0.000) 1.891 5.677 ( -1.121 0.000 0.000) 1.121 5.700 ( -2.787 0.000 0.000) 2.787 5.990 ( -0.994 0.000 0.000) 0.994 6.102 ( -0.902 0.000 0.000) 0.902 6.124 ( 0.369 -0.000 -0.000) 0.369 6.271 ( 0.327 -0.000 -0.000) 0.327 6.432 ( 0.669 -0.000 -0.000) 0.669 6.957 ( -0.572 0.000 0.000) 0.572 7.002 ( 0.536 -0.000 -0.000) 0.536 ======================= Grid point 393 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 3.39e-05 3.39e-05 3.39e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -0.000 3.030 0.151) 3.034 0.966 ( 0.000 14.158 -1.223) 14.210 1.223 ( 0.000 -0.235 -0.317) 0.394 1.347 ( 0.000 -14.093 -1.505) 14.173 1.474 ( -0.000 -0.619 2.402) 2.480 1.524 ( -0.000 -1.624 0.125) 1.629 1.535 ( 0.000 -1.237 3.822) 4.017 1.571 ( 0.000 -1.673 -2.022) 2.625 1.678 ( 0.000 2.810 -3.737) 4.676 2.015 ( -0.000 11.261 -0.142) 11.262 2.050 ( 0.000 7.663 0.052) 7.663 2.220 ( 0.000 -6.883 0.062) 6.883 2.222 ( -0.000 -3.256 -0.354) 3.275 2.313 ( -0.000 -12.617 -0.165) 12.618 3.388 ( -0.000 -1.746 0.052) 1.747 4.994 ( -0.000 0.748 0.062) 0.751 5.281 ( -0.000 5.941 0.165) 5.943 5.460 ( -0.000 -4.556 -0.154) 4.559 5.665 ( -0.000 0.209 -0.029) 0.211 5.669 ( -0.000 1.141 -0.020) 1.141 5.978 ( -0.000 0.557 0.098) 0.565 6.070 ( -0.000 4.729 0.064) 4.729 6.125 ( 0.000 0.415 -0.043) 0.417 6.287 ( -0.000 -2.102 -0.492) 2.159 6.438 ( -0.000 -0.057 0.069) 0.090 6.952 ( -0.000 0.433 -0.346) 0.554 7.013 ( -0.000 -1.155 -0.200) 1.172 =================== 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 3/19683 10.0 27.514 26.169 6.968 0.000 0.000 0.000 3/19683 20.0 10.761 10.289 1.480 0.000 0.000 0.000 3/19683 30.0 7.711 7.476 0.867 0.000 0.000 0.000 3/19683 40.0 6.383 6.133 0.636 0.000 0.000 0.000 3/19683 50.0 5.497 5.226 0.506 0.000 0.000 0.000 3/19683 60.0 4.826 4.548 0.421 0.000 0.000 0.000 3/19683 70.0 4.295 4.021 0.361 0.000 0.000 0.000 3/19683 80.0 3.867 3.601 0.316 0.000 0.000 0.000 3/19683 90.0 3.513 3.258 0.281 0.000 0.000 0.000 3/19683 100.0 3.218 2.975 0.253 0.000 0.000 0.000 3/19683 110.0 2.968 2.736 0.230 0.000 0.000 0.000 3/19683 120.0 2.753 2.532 0.211 0.000 0.000 0.000 3/19683 130.0 2.567 2.356 0.195 0.000 0.000 0.000 3/19683 140.0 2.404 2.203 0.182 0.000 0.000 0.000 3/19683 150.0 2.260 2.069 0.170 0.000 0.000 0.000 3/19683 160.0 2.133 1.950 0.159 0.000 0.000 0.000 3/19683 170.0 2.019 1.844 0.150 0.000 0.000 0.000 3/19683 180.0 1.917 1.748 0.142 0.000 0.000 0.000 3/19683 190.0 1.824 1.662 0.134 0.000 0.000 0.000 3/19683 200.0 1.740 1.585 0.128 0.000 0.000 0.000 3/19683 210.0 1.663 1.514 0.122 0.000 0.000 0.000 3/19683 220.0 1.593 1.449 0.116 0.000 0.000 0.000 3/19683 230.0 1.528 1.389 0.111 0.000 0.000 0.000 3/19683 240.0 1.469 1.334 0.107 0.000 0.000 0.000 3/19683 250.0 1.414 1.284 0.102 0.000 0.000 0.000 3/19683 260.0 1.363 1.237 0.098 0.000 0.000 0.000 3/19683 270.0 1.315 1.193 0.095 0.000 0.000 0.000 3/19683 280.0 1.271 1.153 0.092 0.000 0.000 0.000 3/19683 290.0 1.229 1.115 0.088 0.000 0.000 0.000 3/19683 300.0 1.190 1.079 0.086 0.000 0.000 0.000 3/19683 310.0 1.154 1.046 0.083 0.000 0.000 0.000 3/19683 320.0 1.120 1.014 0.080 0.000 0.000 0.000 3/19683 330.0 1.087 0.985 0.078 0.000 0.000 0.000 3/19683 340.0 1.057 0.957 0.076 0.000 0.000 0.000 3/19683 350.0 1.028 0.931 0.073 0.000 0.000 0.000 3/19683 360.0 1.001 0.906 0.071 0.000 0.000 0.000 3/19683 370.0 0.975 0.882 0.069 0.000 0.000 0.000 3/19683 380.0 0.950 0.860 0.068 0.000 0.000 0.000 3/19683 390.0 0.927 0.838 0.066 0.000 0.000 0.000 3/19683 400.0 0.905 0.818 0.064 0.000 0.000 0.000 3/19683 410.0 0.884 0.799 0.063 0.000 0.000 0.000 3/19683 420.0 0.863 0.780 0.061 0.000 0.000 0.000 3/19683 430.0 0.844 0.763 0.060 0.000 0.000 0.000 3/19683 440.0 0.826 0.746 0.059 0.000 0.000 0.000 3/19683 450.0 0.808 0.730 0.057 0.000 0.000 0.000 3/19683 460.0 0.791 0.715 0.056 0.000 0.000 0.000 3/19683 470.0 0.775 0.700 0.055 0.000 0.000 0.000 3/19683 480.0 0.759 0.686 0.054 0.000 0.000 0.000 3/19683 490.0 0.744 0.672 0.053 0.000 0.000 0.000 3/19683 500.0 0.730 0.659 0.052 0.000 0.000 0.000 3/19683 510.0 0.716 0.647 0.051 0.000 0.000 0.000 3/19683 520.0 0.703 0.634 0.050 0.000 0.000 0.000 3/19683 530.0 0.690 0.623 0.049 0.000 0.000 0.000 3/19683 540.0 0.678 0.612 0.048 0.000 0.000 0.000 3/19683 550.0 0.666 0.601 0.047 0.000 0.000 0.000 3/19683 560.0 0.654 0.590 0.046 0.000 0.000 0.000 3/19683 570.0 0.643 0.580 0.045 0.000 0.000 0.000 3/19683 580.0 0.632 0.570 0.045 0.000 0.000 0.000 3/19683 590.0 0.622 0.561 0.044 0.000 0.000 0.000 3/19683 600.0 0.612 0.552 0.043 0.000 0.000 0.000 3/19683 610.0 0.602 0.543 0.042 0.000 0.000 0.000 3/19683 620.0 0.593 0.534 0.042 0.000 0.000 0.000 3/19683 630.0 0.584 0.526 0.041 0.000 0.000 0.000 3/19683 640.0 0.575 0.518 0.040 0.000 0.000 0.000 3/19683 650.0 0.566 0.510 0.040 0.000 0.000 0.000 3/19683 660.0 0.558 0.503 0.039 0.000 0.000 0.000 3/19683 670.0 0.550 0.495 0.039 0.000 0.000 0.000 3/19683 680.0 0.542 0.488 0.038 0.000 0.000 0.000 3/19683 690.0 0.534 0.481 0.037 0.000 0.000 0.000 3/19683 700.0 0.527 0.475 0.037 0.000 0.000 0.000 3/19683 710.0 0.520 0.468 0.036 0.000 0.000 0.000 3/19683 720.0 0.513 0.462 0.036 0.000 0.000 0.000 3/19683 730.0 0.506 0.456 0.035 0.000 0.000 0.000 3/19683 740.0 0.499 0.450 0.035 0.000 0.000 0.000 3/19683 750.0 0.493 0.444 0.035 0.000 0.000 0.000 3/19683 760.0 0.486 0.438 0.034 0.000 0.000 0.000 3/19683 770.0 0.480 0.432 0.034 0.000 0.000 0.000 3/19683 780.0 0.474 0.427 0.033 0.000 0.000 0.000 3/19683 790.0 0.468 0.422 0.033 0.000 0.000 0.000 3/19683 800.0 0.463 0.417 0.032 0.000 0.000 0.000 3/19683 810.0 0.457 0.411 0.032 0.000 0.000 0.000 3/19683 820.0 0.452 0.407 0.032 0.000 0.000 0.000 3/19683 830.0 0.446 0.402 0.031 0.000 0.000 0.000 3/19683 840.0 0.441 0.397 0.031 0.000 0.000 0.000 3/19683 850.0 0.436 0.392 0.030 0.000 0.000 0.000 3/19683 860.0 0.431 0.388 0.030 0.000 0.000 0.000 3/19683 870.0 0.426 0.384 0.030 0.000 0.000 0.000 3/19683 880.0 0.421 0.379 0.029 0.000 0.000 0.000 3/19683 890.0 0.417 0.375 0.029 0.000 0.000 0.000 3/19683 900.0 0.412 0.371 0.029 0.000 0.000 0.000 3/19683 910.0 0.408 0.367 0.028 0.000 0.000 0.000 3/19683 920.0 0.404 0.363 0.028 0.000 0.000 0.000 3/19683 930.0 0.399 0.359 0.028 0.000 0.000 0.000 3/19683 940.0 0.395 0.356 0.028 0.000 0.000 0.000 3/19683 950.0 0.391 0.352 0.027 0.000 0.000 0.000 3/19683 960.0 0.387 0.348 0.027 0.000 0.000 0.000 3/19683 970.0 0.383 0.345 0.027 0.000 0.000 0.000 3/19683 980.0 0.379 0.341 0.026 0.000 0.000 0.000 3/19683 990.0 0.376 0.338 0.026 0.000 0.000 0.000 3/19683 1000.0 0.372 0.335 0.026 0.000 0.000 0.000 3/19683 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:31:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|