----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:20:04]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) Number of symmetry operations in supercell: 128 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.474322350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.474322350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.112162490000000 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.72901577702758 15.999 2 O 0.00000000000000 0.50000000000000 0.27098422297242 15.999 *3 O 0.50000000000000 0.29181475710120 0.18365890924650 15.999 4 O 0.50000000000000 0.70818524289880 0.18365890924650 15.999 5 O 0.79181475710120 0.00000000000000 0.18365890924650 15.999 6 O 0.20818524289880 0.00000000000000 0.18365890924650 15.999 7 O 0.29181475710120 0.50000000000000 0.81634109075349 15.999 8 O 0.00000000000000 0.79181475710120 0.81634109075349 15.999 9 O 0.70818524289880 0.50000000000000 0.81634109075349 15.999 10 O 0.00000000000000 0.20818524289880 0.81634109075349 15.999 *11 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 12 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 *15 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 16 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 *17 Ti 0.50000000000000 0.00000000000000 0.06445897587988 47.867 18 Ti 0.00000000000000 0.50000000000000 0.93554102412012 47.867 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.474322350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.474322350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.112162490000000 Atomic positions (fractional): *1 O 0.50000000000000 0.00000000000000 0.72901577702758 15.999 > 1 2 O 0.00000000000000 0.50000000000000 0.27098422297242 15.999 > 2 *3 O 0.50000000000000 0.29181475710120 0.18365890924650 15.999 > 3 4 O 0.50000000000000 0.70818524289880 0.18365890924650 15.999 > 4 5 O 0.79181475710120 0.00000000000000 0.18365890924650 15.999 > 5 6 O 0.20818524289880 0.00000000000000 0.18365890924650 15.999 > 6 7 O 0.29181475710120 0.50000000000000 0.81634109075349 15.999 > 7 8 O 0.00000000000000 0.79181475710120 0.81634109075349 15.999 > 8 9 O 0.70818524289880 0.50000000000000 0.81634109075349 15.999 > 9 10 O 0.00000000000000 0.20818524289880 0.81634109075349 15.999 > 10 *11 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 11 12 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 12 13 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 13 14 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 14 *15 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 15 16 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 16 *17 Ti 0.50000000000000 0.00000000000000 0.06445897587988 47.867 > 17 18 Ti 0.00000000000000 0.50000000000000 0.93554102412012 47.867 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.948644699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948644699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.224324980000000 Atomic positions (fractional): *1 O 0.25000000000000 0.00000000000000 0.36450788851379 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.36450788851379 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.36450788851379 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.36450788851379 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.86450788851379 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.86450788851379 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.86450788851379 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.86450788851379 15.999 > 1 9 O 0.00000000000000 0.25000000000000 0.13549211148621 15.999 > 2 10 O 0.50000000000000 0.25000000000000 0.13549211148621 15.999 > 2 11 O 0.00000000000000 0.75000000000000 0.13549211148621 15.999 > 2 12 O 0.50000000000000 0.75000000000000 0.13549211148621 15.999 > 2 13 O 0.00000000000000 0.25000000000000 0.63549211148621 15.999 > 2 14 O 0.50000000000000 0.25000000000000 0.63549211148621 15.999 > 2 15 O 0.00000000000000 0.75000000000000 0.63549211148621 15.999 > 2 16 O 0.50000000000000 0.75000000000000 0.63549211148621 15.999 > 2 *17 O 0.25000000000000 0.14590737855060 0.09182945462325 15.999 > 3 18 O 0.75000000000000 0.14590737855060 0.09182945462325 15.999 > 3 19 O 0.25000000000000 0.64590737855060 0.09182945462325 15.999 > 3 20 O 0.75000000000000 0.64590737855060 0.09182945462325 15.999 > 3 21 O 0.25000000000000 0.14590737855060 0.59182945462325 15.999 > 3 22 O 0.75000000000000 0.14590737855060 0.59182945462325 15.999 > 3 23 O 0.25000000000000 0.64590737855060 0.59182945462325 15.999 > 3 24 O 0.75000000000000 0.64590737855060 0.59182945462325 15.999 > 3 25 O 0.25000000000000 0.35409262144940 0.09182945462325 15.999 > 4 26 O 0.75000000000000 0.35409262144940 0.09182945462325 15.999 > 4 27 O 0.25000000000000 0.85409262144940 0.09182945462325 15.999 > 4 28 O 0.75000000000000 0.85409262144940 0.09182945462325 15.999 > 4 29 O 0.25000000000000 0.35409262144940 0.59182945462325 15.999 > 4 30 O 0.75000000000000 0.35409262144940 0.59182945462325 15.999 > 4 31 O 0.25000000000000 0.85409262144940 0.59182945462325 15.999 > 4 32 O 0.75000000000000 0.85409262144940 0.59182945462325 15.999 > 4 33 O 0.39590737855060 0.00000000000000 0.09182945462325 15.999 > 5 34 O 0.89590737855060 0.00000000000000 0.09182945462325 15.999 > 5 35 O 0.39590737855060 0.50000000000000 0.09182945462325 15.999 > 5 36 O 0.89590737855060 0.50000000000000 0.09182945462325 15.999 > 5 37 O 0.39590737855060 0.00000000000000 0.59182945462325 15.999 > 5 38 O 0.89590737855060 0.00000000000000 0.59182945462325 15.999 > 5 39 O 0.39590737855060 0.50000000000000 0.59182945462325 15.999 > 5 40 O 0.89590737855060 0.50000000000000 0.59182945462325 15.999 > 5 41 O 0.10409262144940 0.00000000000000 0.09182945462325 15.999 > 6 42 O 0.60409262144940 0.00000000000000 0.09182945462325 15.999 > 6 43 O 0.10409262144940 0.50000000000000 0.09182945462325 15.999 > 6 44 O 0.60409262144940 0.50000000000000 0.09182945462325 15.999 > 6 45 O 0.10409262144940 0.00000000000000 0.59182945462325 15.999 > 6 46 O 0.60409262144940 0.00000000000000 0.59182945462325 15.999 > 6 47 O 0.10409262144940 0.50000000000000 0.59182945462325 15.999 > 6 48 O 0.60409262144940 0.50000000000000 0.59182945462325 15.999 > 6 49 O 0.14590737855060 0.25000000000000 0.40817054537675 15.999 > 7 50 O 0.64590737855060 0.25000000000000 0.40817054537675 15.999 > 7 51 O 0.14590737855060 0.75000000000000 0.40817054537675 15.999 > 7 52 O 0.64590737855060 0.75000000000000 0.40817054537675 15.999 > 7 53 O 0.14590737855060 0.25000000000000 0.90817054537675 15.999 > 7 54 O 0.64590737855060 0.25000000000000 0.90817054537675 15.999 > 7 55 O 0.14590737855060 0.75000000000000 0.90817054537675 15.999 > 7 56 O 0.64590737855060 0.75000000000000 0.90817054537675 15.999 > 7 57 O 0.00000000000000 0.39590737855060 0.40817054537675 15.999 > 8 58 O 0.50000000000000 0.39590737855060 0.40817054537675 15.999 > 8 59 O 0.00000000000000 0.89590737855060 0.40817054537675 15.999 > 8 60 O 0.50000000000000 0.89590737855060 0.40817054537675 15.999 > 8 61 O 0.00000000000000 0.39590737855060 0.90817054537675 15.999 > 8 62 O 0.50000000000000 0.39590737855060 0.90817054537675 15.999 > 8 63 O 0.00000000000000 0.89590737855060 0.90817054537675 15.999 > 8 64 O 0.50000000000000 0.89590737855060 0.90817054537675 15.999 > 8 65 O 0.35409262144940 0.25000000000000 0.40817054537675 15.999 > 9 66 O 0.85409262144940 0.25000000000000 0.40817054537675 15.999 > 9 67 O 0.35409262144940 0.75000000000000 0.40817054537675 15.999 > 9 68 O 0.85409262144940 0.75000000000000 0.40817054537675 15.999 > 9 69 O 0.35409262144940 0.25000000000000 0.90817054537675 15.999 > 9 70 O 0.85409262144940 0.25000000000000 0.90817054537675 15.999 > 9 71 O 0.35409262144940 0.75000000000000 0.90817054537675 15.999 > 9 72 O 0.85409262144940 0.75000000000000 0.90817054537675 15.999 > 9 73 O 0.00000000000000 0.10409262144940 0.40817054537675 15.999 > 10 74 O 0.50000000000000 0.10409262144940 0.40817054537675 15.999 > 10 75 O 0.00000000000000 0.60409262144940 0.40817054537675 15.999 > 10 76 O 0.50000000000000 0.60409262144940 0.40817054537675 15.999 > 10 77 O 0.00000000000000 0.10409262144940 0.90817054537675 15.999 > 10 78 O 0.50000000000000 0.10409262144940 0.90817054537675 15.999 > 10 79 O 0.00000000000000 0.60409262144940 0.90817054537675 15.999 > 10 80 O 0.50000000000000 0.60409262144940 0.90817054537675 15.999 > 10 *81 Na 0.12500000000000 0.12500000000000 0.25000000000000 22.990 > 11 82 Na 0.62500000000000 0.12500000000000 0.25000000000000 22.990 > 11 83 Na 0.12500000000000 0.62500000000000 0.25000000000000 22.990 > 11 84 Na 0.62500000000000 0.62500000000000 0.25000000000000 22.990 > 11 85 Na 0.12500000000000 0.12500000000000 0.75000000000000 22.990 > 11 86 Na 0.62500000000000 0.12500000000000 0.75000000000000 22.990 > 11 87 Na 0.12500000000000 0.62500000000000 0.75000000000000 22.990 > 11 88 Na 0.62500000000000 0.62500000000000 0.75000000000000 22.990 > 11 89 Na 0.12500000000000 0.37500000000000 0.25000000000000 22.990 > 12 90 Na 0.62500000000000 0.37500000000000 0.25000000000000 22.990 > 12 91 Na 0.12500000000000 0.87500000000000 0.25000000000000 22.990 > 12 92 Na 0.62500000000000 0.87500000000000 0.25000000000000 22.990 > 12 93 Na 0.12500000000000 0.37500000000000 0.75000000000000 22.990 > 12 94 Na 0.62500000000000 0.37500000000000 0.75000000000000 22.990 > 12 95 Na 0.12500000000000 0.87500000000000 0.75000000000000 22.990 > 12 96 Na 0.62500000000000 0.87500000000000 0.75000000000000 22.990 > 12 97 Na 0.37500000000000 0.12500000000000 0.25000000000000 22.990 > 13 98 Na 0.87500000000000 0.12500000000000 0.25000000000000 22.990 > 13 99 Na 0.37500000000000 0.62500000000000 0.25000000000000 22.990 > 13 100 Na 0.87500000000000 0.62500000000000 0.25000000000000 22.990 > 13 101 Na 0.37500000000000 0.12500000000000 0.75000000000000 22.990 > 13 102 Na 0.87500000000000 0.12500000000000 0.75000000000000 22.990 > 13 103 Na 0.37500000000000 0.62500000000000 0.75000000000000 22.990 > 13 104 Na 0.87500000000000 0.62500000000000 0.75000000000000 22.990 > 13 105 Na 0.37500000000000 0.37500000000000 0.25000000000000 22.990 > 14 106 Na 0.87500000000000 0.37500000000000 0.25000000000000 22.990 > 14 107 Na 0.37500000000000 0.87500000000000 0.25000000000000 22.990 > 14 108 Na 0.87500000000000 0.87500000000000 0.25000000000000 22.990 > 14 109 Na 0.37500000000000 0.37500000000000 0.75000000000000 22.990 > 14 110 Na 0.87500000000000 0.37500000000000 0.75000000000000 22.990 > 14 111 Na 0.37500000000000 0.87500000000000 0.75000000000000 22.990 > 14 112 Na 0.87500000000000 0.87500000000000 0.75000000000000 22.990 > 14 *113 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 15 114 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 15 115 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 15 116 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 15 117 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 15 118 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 15 119 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 15 120 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 15 121 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 16 122 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 16 123 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 16 124 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 16 125 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 16 126 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 16 127 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 16 128 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 16 *129 Ti 0.25000000000000 0.00000000000000 0.03222948793994 47.867 > 17 130 Ti 0.75000000000000 0.00000000000000 0.03222948793994 47.867 > 17 131 Ti 0.25000000000000 0.50000000000000 0.03222948793994 47.867 > 17 132 Ti 0.75000000000000 0.50000000000000 0.03222948793994 47.867 > 17 133 Ti 0.25000000000000 0.00000000000000 0.53222948793994 47.867 > 17 134 Ti 0.75000000000000 0.00000000000000 0.53222948793994 47.867 > 17 135 Ti 0.25000000000000 0.50000000000000 0.53222948793994 47.867 > 17 136 Ti 0.75000000000000 0.50000000000000 0.53222948793994 47.867 > 17 137 Ti 0.00000000000000 0.25000000000000 0.46777051206006 47.867 > 18 138 Ti 0.50000000000000 0.25000000000000 0.46777051206006 47.867 > 18 139 Ti 0.00000000000000 0.75000000000000 0.46777051206006 47.867 > 18 140 Ti 0.50000000000000 0.75000000000000 0.46777051206006 47.867 > 18 141 Ti 0.00000000000000 0.25000000000000 0.96777051206006 47.867 > 18 142 Ti 0.50000000000000 0.25000000000000 0.96777051206006 47.867 > 18 143 Ti 0.00000000000000 0.75000000000000 0.96777051206006 47.867 > 18 144 Ti 0.50000000000000 0.75000000000000 0.96777051206006 47.867 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4115849 0.0000000 0.0000000 0.0000000 3.4115849 0.0000000 0.0000000 0.0000000 2.8964132 -------------------------- Born effective charges -------------------------- 1 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 2 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 3 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 4 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 5 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 6 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 7 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 8 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 9 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 10 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 11 Na 0.9779164 -0.0819985 -0.0416957 -0.0819985 0.9779164 0.0416957 0.0823317 -0.0823317 1.3784653 12 Na 0.9779164 0.0819985 -0.0416957 0.0819985 0.9779164 -0.0416957 0.0823317 0.0823317 1.3784653 13 Na 0.9779164 0.0819985 0.0416957 0.0819985 0.9779164 0.0416957 -0.0823317 -0.0823317 1.3784653 14 Na 0.9779164 -0.0819985 0.0416957 -0.0819985 0.9779164 -0.0416957 -0.0823317 0.0823317 1.3784653 15 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 16 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 17 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 18 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 ---------------------------------------------------------------------------- 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: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 872 Number of blocks in projector: 876 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (872, 856), data: False |-- (134, 133), data: True |-- (156, 151), data: True |-- (264, 258), data: True |-- (318, 314), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 160 - Time: 0.308 Solver_block: 160 / 160 - Time: 0.200 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.528 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 872 Number of blocks in projector: 876 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 318 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 156 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 134 Use standard eigh solver. Tree of FC basis block matrices: - (872, 856), data: False |-- (134, 133), data: True |-- (156, 151), data: True |-- (264, 258), data: True |-- (318, 314), 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 2026-01-07 21:20:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:20:15]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.474322350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.474322350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.112162490000000 Atomic positions (fractional): 1 O 0.50000000000000 0.00000000000000 0.72901577702758 15.999 2 O 0.00000000000000 0.50000000000000 0.27098422297242 15.999 3 O 0.50000000000000 0.29181475710120 0.18365890924650 15.999 4 O 0.50000000000000 0.70818524289880 0.18365890924650 15.999 5 O 0.79181475710120 0.00000000000000 0.18365890924650 15.999 6 O 0.20818524289880 0.00000000000000 0.18365890924650 15.999 7 O 0.29181475710120 0.50000000000000 0.81634109075349 15.999 8 O 0.00000000000000 0.79181475710120 0.81634109075349 15.999 9 O 0.70818524289880 0.50000000000000 0.81634109075349 15.999 10 O 0.00000000000000 0.20818524289880 0.81634109075349 15.999 11 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 12 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 15 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 16 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 17 Ti 0.50000000000000 0.00000000000000 0.06445897587988 47.867 18 Ti 0.00000000000000 0.50000000000000 0.93554102412012 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.948644699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948644699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.224324980000000 Atomic positions (fractional): 1 O 0.25000000000000 0.00000000000000 0.36450788851379 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.36450788851379 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.36450788851379 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.36450788851379 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.86450788851379 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.86450788851379 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.86450788851379 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.86450788851379 15.999 > 1 9 O 0.00000000000000 0.25000000000000 0.13549211148621 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.13549211148621 15.999 > 9 11 O 0.00000000000000 0.75000000000000 0.13549211148621 15.999 > 9 12 O 0.50000000000000 0.75000000000000 0.13549211148621 15.999 > 9 13 O 0.00000000000000 0.25000000000000 0.63549211148621 15.999 > 9 14 O 0.50000000000000 0.25000000000000 0.63549211148621 15.999 > 9 15 O 0.00000000000000 0.75000000000000 0.63549211148621 15.999 > 9 16 O 0.50000000000000 0.75000000000000 0.63549211148621 15.999 > 9 17 O 0.25000000000000 0.14590737855060 0.09182945462325 15.999 > 17 18 O 0.75000000000000 0.14590737855060 0.09182945462325 15.999 > 17 19 O 0.25000000000000 0.64590737855060 0.09182945462325 15.999 > 17 20 O 0.75000000000000 0.64590737855060 0.09182945462325 15.999 > 17 21 O 0.25000000000000 0.14590737855060 0.59182945462325 15.999 > 17 22 O 0.75000000000000 0.14590737855060 0.59182945462325 15.999 > 17 23 O 0.25000000000000 0.64590737855060 0.59182945462325 15.999 > 17 24 O 0.75000000000000 0.64590737855060 0.59182945462325 15.999 > 17 25 O 0.25000000000000 0.35409262144940 0.09182945462325 15.999 > 25 26 O 0.75000000000000 0.35409262144940 0.09182945462325 15.999 > 25 27 O 0.25000000000000 0.85409262144940 0.09182945462325 15.999 > 25 28 O 0.75000000000000 0.85409262144940 0.09182945462325 15.999 > 25 29 O 0.25000000000000 0.35409262144940 0.59182945462325 15.999 > 25 30 O 0.75000000000000 0.35409262144940 0.59182945462325 15.999 > 25 31 O 0.25000000000000 0.85409262144940 0.59182945462325 15.999 > 25 32 O 0.75000000000000 0.85409262144940 0.59182945462325 15.999 > 25 33 O 0.39590737855060 0.00000000000000 0.09182945462325 15.999 > 33 34 O 0.89590737855060 0.00000000000000 0.09182945462325 15.999 > 33 35 O 0.39590737855060 0.50000000000000 0.09182945462325 15.999 > 33 36 O 0.89590737855060 0.50000000000000 0.09182945462325 15.999 > 33 37 O 0.39590737855060 0.00000000000000 0.59182945462325 15.999 > 33 38 O 0.89590737855060 0.00000000000000 0.59182945462325 15.999 > 33 39 O 0.39590737855060 0.50000000000000 0.59182945462325 15.999 > 33 40 O 0.89590737855060 0.50000000000000 0.59182945462325 15.999 > 33 41 O 0.10409262144940 0.00000000000000 0.09182945462325 15.999 > 41 42 O 0.60409262144940 0.00000000000000 0.09182945462325 15.999 > 41 43 O 0.10409262144940 0.50000000000000 0.09182945462325 15.999 > 41 44 O 0.60409262144940 0.50000000000000 0.09182945462325 15.999 > 41 45 O 0.10409262144940 0.00000000000000 0.59182945462325 15.999 > 41 46 O 0.60409262144940 0.00000000000000 0.59182945462325 15.999 > 41 47 O 0.10409262144940 0.50000000000000 0.59182945462325 15.999 > 41 48 O 0.60409262144940 0.50000000000000 0.59182945462325 15.999 > 41 49 O 0.14590737855060 0.25000000000000 0.40817054537675 15.999 > 49 50 O 0.64590737855060 0.25000000000000 0.40817054537675 15.999 > 49 51 O 0.14590737855060 0.75000000000000 0.40817054537675 15.999 > 49 52 O 0.64590737855060 0.75000000000000 0.40817054537675 15.999 > 49 53 O 0.14590737855060 0.25000000000000 0.90817054537675 15.999 > 49 54 O 0.64590737855060 0.25000000000000 0.90817054537675 15.999 > 49 55 O 0.14590737855060 0.75000000000000 0.90817054537675 15.999 > 49 56 O 0.64590737855060 0.75000000000000 0.90817054537675 15.999 > 49 57 O 0.00000000000000 0.39590737855060 0.40817054537675 15.999 > 57 58 O 0.50000000000000 0.39590737855060 0.40817054537675 15.999 > 57 59 O 0.00000000000000 0.89590737855060 0.40817054537675 15.999 > 57 60 O 0.50000000000000 0.89590737855060 0.40817054537675 15.999 > 57 61 O 0.00000000000000 0.39590737855060 0.90817054537675 15.999 > 57 62 O 0.50000000000000 0.39590737855060 0.90817054537675 15.999 > 57 63 O 0.00000000000000 0.89590737855060 0.90817054537675 15.999 > 57 64 O 0.50000000000000 0.89590737855060 0.90817054537675 15.999 > 57 65 O 0.35409262144940 0.25000000000000 0.40817054537675 15.999 > 65 66 O 0.85409262144940 0.25000000000000 0.40817054537675 15.999 > 65 67 O 0.35409262144940 0.75000000000000 0.40817054537675 15.999 > 65 68 O 0.85409262144940 0.75000000000000 0.40817054537675 15.999 > 65 69 O 0.35409262144940 0.25000000000000 0.90817054537675 15.999 > 65 70 O 0.85409262144940 0.25000000000000 0.90817054537675 15.999 > 65 71 O 0.35409262144940 0.75000000000000 0.90817054537675 15.999 > 65 72 O 0.85409262144940 0.75000000000000 0.90817054537675 15.999 > 65 73 O 0.00000000000000 0.10409262144940 0.40817054537675 15.999 > 73 74 O 0.50000000000000 0.10409262144940 0.40817054537675 15.999 > 73 75 O 0.00000000000000 0.60409262144940 0.40817054537675 15.999 > 73 76 O 0.50000000000000 0.60409262144940 0.40817054537675 15.999 > 73 77 O 0.00000000000000 0.10409262144940 0.90817054537675 15.999 > 73 78 O 0.50000000000000 0.10409262144940 0.90817054537675 15.999 > 73 79 O 0.00000000000000 0.60409262144940 0.90817054537675 15.999 > 73 80 O 0.50000000000000 0.60409262144940 0.90817054537675 15.999 > 73 81 Na 0.12500000000000 0.12500000000000 0.25000000000000 22.990 > 81 82 Na 0.62500000000000 0.12500000000000 0.25000000000000 22.990 > 81 83 Na 0.12500000000000 0.62500000000000 0.25000000000000 22.990 > 81 84 Na 0.62500000000000 0.62500000000000 0.25000000000000 22.990 > 81 85 Na 0.12500000000000 0.12500000000000 0.75000000000000 22.990 > 81 86 Na 0.62500000000000 0.12500000000000 0.75000000000000 22.990 > 81 87 Na 0.12500000000000 0.62500000000000 0.75000000000000 22.990 > 81 88 Na 0.62500000000000 0.62500000000000 0.75000000000000 22.990 > 81 89 Na 0.12500000000000 0.37500000000000 0.25000000000000 22.990 > 89 90 Na 0.62500000000000 0.37500000000000 0.25000000000000 22.990 > 89 91 Na 0.12500000000000 0.87500000000000 0.25000000000000 22.990 > 89 92 Na 0.62500000000000 0.87500000000000 0.25000000000000 22.990 > 89 93 Na 0.12500000000000 0.37500000000000 0.75000000000000 22.990 > 89 94 Na 0.62500000000000 0.37500000000000 0.75000000000000 22.990 > 89 95 Na 0.12500000000000 0.87500000000000 0.75000000000000 22.990 > 89 96 Na 0.62500000000000 0.87500000000000 0.75000000000000 22.990 > 89 97 Na 0.37500000000000 0.12500000000000 0.25000000000000 22.990 > 97 98 Na 0.87500000000000 0.12500000000000 0.25000000000000 22.990 > 97 99 Na 0.37500000000000 0.62500000000000 0.25000000000000 22.990 > 97 100 Na 0.87500000000000 0.62500000000000 0.25000000000000 22.990 > 97 101 Na 0.37500000000000 0.12500000000000 0.75000000000000 22.990 > 97 102 Na 0.87500000000000 0.12500000000000 0.75000000000000 22.990 > 97 103 Na 0.37500000000000 0.62500000000000 0.75000000000000 22.990 > 97 104 Na 0.87500000000000 0.62500000000000 0.75000000000000 22.990 > 97 105 Na 0.37500000000000 0.37500000000000 0.25000000000000 22.990 > 105 106 Na 0.87500000000000 0.37500000000000 0.25000000000000 22.990 > 105 107 Na 0.37500000000000 0.87500000000000 0.25000000000000 22.990 > 105 108 Na 0.87500000000000 0.87500000000000 0.25000000000000 22.990 > 105 109 Na 0.37500000000000 0.37500000000000 0.75000000000000 22.990 > 105 110 Na 0.87500000000000 0.37500000000000 0.75000000000000 22.990 > 105 111 Na 0.37500000000000 0.87500000000000 0.75000000000000 22.990 > 105 112 Na 0.87500000000000 0.87500000000000 0.75000000000000 22.990 > 105 113 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 113 114 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 113 115 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 113 116 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 113 117 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 113 118 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 113 119 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 113 120 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 113 121 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 121 122 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 121 123 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 121 124 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 121 125 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 121 126 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 121 127 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 121 128 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 121 129 Ti 0.25000000000000 0.00000000000000 0.03222948793994 47.867 > 129 130 Ti 0.75000000000000 0.00000000000000 0.03222948793994 47.867 > 129 131 Ti 0.25000000000000 0.50000000000000 0.03222948793994 47.867 > 129 132 Ti 0.75000000000000 0.50000000000000 0.03222948793994 47.867 > 129 133 Ti 0.25000000000000 0.00000000000000 0.53222948793994 47.867 > 129 134 Ti 0.75000000000000 0.00000000000000 0.53222948793994 47.867 > 129 135 Ti 0.25000000000000 0.50000000000000 0.53222948793994 47.867 > 129 136 Ti 0.75000000000000 0.50000000000000 0.53222948793994 47.867 > 129 137 Ti 0.00000000000000 0.25000000000000 0.46777051206006 47.867 > 137 138 Ti 0.50000000000000 0.25000000000000 0.46777051206006 47.867 > 137 139 Ti 0.00000000000000 0.75000000000000 0.46777051206006 47.867 > 137 140 Ti 0.50000000000000 0.75000000000000 0.46777051206006 47.867 > 137 141 Ti 0.00000000000000 0.25000000000000 0.96777051206006 47.867 > 137 142 Ti 0.50000000000000 0.25000000000000 0.96777051206006 47.867 > 137 143 Ti 0.00000000000000 0.75000000000000 0.96777051206006 47.867 > 137 144 Ti 0.50000000000000 0.75000000000000 0.96777051206006 47.867 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4115849 0.0000000 0.0000000 0.0000000 3.4115849 0.0000000 0.0000000 0.0000000 2.8964132 -------------------------- Born effective charges -------------------------- 1 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 2 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 3 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 4 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 5 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 6 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 7 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 8 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 9 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 10 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 11 Na 0.9779164 -0.0819985 -0.0416957 -0.0819985 0.9779164 0.0416957 0.0823317 -0.0823317 1.3784653 12 Na 0.9779164 0.0819985 -0.0416957 0.0819985 0.9779164 -0.0416957 0.0823317 0.0823317 1.3784653 13 Na 0.9779164 0.0819985 0.0416957 0.0819985 0.9779164 0.0416957 -0.0823317 -0.0823317 1.3784653 14 Na 0.9779164 -0.0819985 0.0416957 -0.0819985 0.9779164 -0.0416957 -0.0823317 0.0823317 1.3784653 15 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 16 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 17 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 18 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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: 0.00000050 (zzz) 0.00000050 (zzz) 0.00000050 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000004 (yz) -0.00000004 (yz) 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 2026-01-07 21:20:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:20:34]------------------------- Compiled with OpenMP support (max 32 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4/nmm (129) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.474322350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.474322350000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.112162490000000 Atomic positions (fractional): 1 O 0.50000000000000 0.00000000000000 0.72901577702758 15.999 2 O 0.00000000000000 0.50000000000000 0.27098422297242 15.999 3 O 0.50000000000000 0.29181475710120 0.18365890924650 15.999 4 O 0.50000000000000 0.70818524289880 0.18365890924650 15.999 5 O 0.79181475710120 0.00000000000000 0.18365890924650 15.999 6 O 0.20818524289880 0.00000000000000 0.18365890924650 15.999 7 O 0.29181475710120 0.50000000000000 0.81634109075349 15.999 8 O 0.00000000000000 0.79181475710120 0.81634109075349 15.999 9 O 0.70818524289880 0.50000000000000 0.81634109075349 15.999 10 O 0.00000000000000 0.20818524289880 0.81634109075349 15.999 11 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 12 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 13 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 14 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 15 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 16 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 17 Ti 0.50000000000000 0.00000000000000 0.06445897587988 47.867 18 Ti 0.00000000000000 0.50000000000000 0.93554102412012 47.867 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.948644699999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.948644699999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.224324980000000 Atomic positions (fractional): 1 O 0.25000000000000 0.00000000000000 0.36450788851379 15.999 > 1 2 O 0.75000000000000 0.00000000000000 0.36450788851379 15.999 > 1 3 O 0.25000000000000 0.50000000000000 0.36450788851379 15.999 > 1 4 O 0.75000000000000 0.50000000000000 0.36450788851379 15.999 > 1 5 O 0.25000000000000 0.00000000000000 0.86450788851379 15.999 > 1 6 O 0.75000000000000 0.00000000000000 0.86450788851379 15.999 > 1 7 O 0.25000000000000 0.50000000000000 0.86450788851379 15.999 > 1 8 O 0.75000000000000 0.50000000000000 0.86450788851379 15.999 > 1 9 O 0.00000000000000 0.25000000000000 0.13549211148621 15.999 > 9 10 O 0.50000000000000 0.25000000000000 0.13549211148621 15.999 > 9 11 O 0.00000000000000 0.75000000000000 0.13549211148621 15.999 > 9 12 O 0.50000000000000 0.75000000000000 0.13549211148621 15.999 > 9 13 O 0.00000000000000 0.25000000000000 0.63549211148621 15.999 > 9 14 O 0.50000000000000 0.25000000000000 0.63549211148621 15.999 > 9 15 O 0.00000000000000 0.75000000000000 0.63549211148621 15.999 > 9 16 O 0.50000000000000 0.75000000000000 0.63549211148621 15.999 > 9 17 O 0.25000000000000 0.14590737855060 0.09182945462325 15.999 > 17 18 O 0.75000000000000 0.14590737855060 0.09182945462325 15.999 > 17 19 O 0.25000000000000 0.64590737855060 0.09182945462325 15.999 > 17 20 O 0.75000000000000 0.64590737855060 0.09182945462325 15.999 > 17 21 O 0.25000000000000 0.14590737855060 0.59182945462325 15.999 > 17 22 O 0.75000000000000 0.14590737855060 0.59182945462325 15.999 > 17 23 O 0.25000000000000 0.64590737855060 0.59182945462325 15.999 > 17 24 O 0.75000000000000 0.64590737855060 0.59182945462325 15.999 > 17 25 O 0.25000000000000 0.35409262144940 0.09182945462325 15.999 > 25 26 O 0.75000000000000 0.35409262144940 0.09182945462325 15.999 > 25 27 O 0.25000000000000 0.85409262144940 0.09182945462325 15.999 > 25 28 O 0.75000000000000 0.85409262144940 0.09182945462325 15.999 > 25 29 O 0.25000000000000 0.35409262144940 0.59182945462325 15.999 > 25 30 O 0.75000000000000 0.35409262144940 0.59182945462325 15.999 > 25 31 O 0.25000000000000 0.85409262144940 0.59182945462325 15.999 > 25 32 O 0.75000000000000 0.85409262144940 0.59182945462325 15.999 > 25 33 O 0.39590737855060 0.00000000000000 0.09182945462325 15.999 > 33 34 O 0.89590737855060 0.00000000000000 0.09182945462325 15.999 > 33 35 O 0.39590737855060 0.50000000000000 0.09182945462325 15.999 > 33 36 O 0.89590737855060 0.50000000000000 0.09182945462325 15.999 > 33 37 O 0.39590737855060 0.00000000000000 0.59182945462325 15.999 > 33 38 O 0.89590737855060 0.00000000000000 0.59182945462325 15.999 > 33 39 O 0.39590737855060 0.50000000000000 0.59182945462325 15.999 > 33 40 O 0.89590737855060 0.50000000000000 0.59182945462325 15.999 > 33 41 O 0.10409262144940 0.00000000000000 0.09182945462325 15.999 > 41 42 O 0.60409262144940 0.00000000000000 0.09182945462325 15.999 > 41 43 O 0.10409262144940 0.50000000000000 0.09182945462325 15.999 > 41 44 O 0.60409262144940 0.50000000000000 0.09182945462325 15.999 > 41 45 O 0.10409262144940 0.00000000000000 0.59182945462325 15.999 > 41 46 O 0.60409262144940 0.00000000000000 0.59182945462325 15.999 > 41 47 O 0.10409262144940 0.50000000000000 0.59182945462325 15.999 > 41 48 O 0.60409262144940 0.50000000000000 0.59182945462325 15.999 > 41 49 O 0.14590737855060 0.25000000000000 0.40817054537675 15.999 > 49 50 O 0.64590737855060 0.25000000000000 0.40817054537675 15.999 > 49 51 O 0.14590737855060 0.75000000000000 0.40817054537675 15.999 > 49 52 O 0.64590737855060 0.75000000000000 0.40817054537675 15.999 > 49 53 O 0.14590737855060 0.25000000000000 0.90817054537675 15.999 > 49 54 O 0.64590737855060 0.25000000000000 0.90817054537675 15.999 > 49 55 O 0.14590737855060 0.75000000000000 0.90817054537675 15.999 > 49 56 O 0.64590737855060 0.75000000000000 0.90817054537675 15.999 > 49 57 O 0.00000000000000 0.39590737855060 0.40817054537675 15.999 > 57 58 O 0.50000000000000 0.39590737855060 0.40817054537675 15.999 > 57 59 O 0.00000000000000 0.89590737855060 0.40817054537675 15.999 > 57 60 O 0.50000000000000 0.89590737855060 0.40817054537675 15.999 > 57 61 O 0.00000000000000 0.39590737855060 0.90817054537675 15.999 > 57 62 O 0.50000000000000 0.39590737855060 0.90817054537675 15.999 > 57 63 O 0.00000000000000 0.89590737855060 0.90817054537675 15.999 > 57 64 O 0.50000000000000 0.89590737855060 0.90817054537675 15.999 > 57 65 O 0.35409262144940 0.25000000000000 0.40817054537675 15.999 > 65 66 O 0.85409262144940 0.25000000000000 0.40817054537675 15.999 > 65 67 O 0.35409262144940 0.75000000000000 0.40817054537675 15.999 > 65 68 O 0.85409262144940 0.75000000000000 0.40817054537675 15.999 > 65 69 O 0.35409262144940 0.25000000000000 0.90817054537675 15.999 > 65 70 O 0.85409262144940 0.25000000000000 0.90817054537675 15.999 > 65 71 O 0.35409262144940 0.75000000000000 0.90817054537675 15.999 > 65 72 O 0.85409262144940 0.75000000000000 0.90817054537675 15.999 > 65 73 O 0.00000000000000 0.10409262144940 0.40817054537675 15.999 > 73 74 O 0.50000000000000 0.10409262144940 0.40817054537675 15.999 > 73 75 O 0.00000000000000 0.60409262144940 0.40817054537675 15.999 > 73 76 O 0.50000000000000 0.60409262144940 0.40817054537675 15.999 > 73 77 O 0.00000000000000 0.10409262144940 0.90817054537675 15.999 > 73 78 O 0.50000000000000 0.10409262144940 0.90817054537675 15.999 > 73 79 O 0.00000000000000 0.60409262144940 0.90817054537675 15.999 > 73 80 O 0.50000000000000 0.60409262144940 0.90817054537675 15.999 > 73 81 Na 0.12500000000000 0.12500000000000 0.25000000000000 22.990 > 81 82 Na 0.62500000000000 0.12500000000000 0.25000000000000 22.990 > 81 83 Na 0.12500000000000 0.62500000000000 0.25000000000000 22.990 > 81 84 Na 0.62500000000000 0.62500000000000 0.25000000000000 22.990 > 81 85 Na 0.12500000000000 0.12500000000000 0.75000000000000 22.990 > 81 86 Na 0.62500000000000 0.12500000000000 0.75000000000000 22.990 > 81 87 Na 0.12500000000000 0.62500000000000 0.75000000000000 22.990 > 81 88 Na 0.62500000000000 0.62500000000000 0.75000000000000 22.990 > 81 89 Na 0.12500000000000 0.37500000000000 0.25000000000000 22.990 > 89 90 Na 0.62500000000000 0.37500000000000 0.25000000000000 22.990 > 89 91 Na 0.12500000000000 0.87500000000000 0.25000000000000 22.990 > 89 92 Na 0.62500000000000 0.87500000000000 0.25000000000000 22.990 > 89 93 Na 0.12500000000000 0.37500000000000 0.75000000000000 22.990 > 89 94 Na 0.62500000000000 0.37500000000000 0.75000000000000 22.990 > 89 95 Na 0.12500000000000 0.87500000000000 0.75000000000000 22.990 > 89 96 Na 0.62500000000000 0.87500000000000 0.75000000000000 22.990 > 89 97 Na 0.37500000000000 0.12500000000000 0.25000000000000 22.990 > 97 98 Na 0.87500000000000 0.12500000000000 0.25000000000000 22.990 > 97 99 Na 0.37500000000000 0.62500000000000 0.25000000000000 22.990 > 97 100 Na 0.87500000000000 0.62500000000000 0.25000000000000 22.990 > 97 101 Na 0.37500000000000 0.12500000000000 0.75000000000000 22.990 > 97 102 Na 0.87500000000000 0.12500000000000 0.75000000000000 22.990 > 97 103 Na 0.37500000000000 0.62500000000000 0.75000000000000 22.990 > 97 104 Na 0.87500000000000 0.62500000000000 0.75000000000000 22.990 > 97 105 Na 0.37500000000000 0.37500000000000 0.25000000000000 22.990 > 105 106 Na 0.87500000000000 0.37500000000000 0.25000000000000 22.990 > 105 107 Na 0.37500000000000 0.87500000000000 0.25000000000000 22.990 > 105 108 Na 0.87500000000000 0.87500000000000 0.25000000000000 22.990 > 105 109 Na 0.37500000000000 0.37500000000000 0.75000000000000 22.990 > 105 110 Na 0.87500000000000 0.37500000000000 0.75000000000000 22.990 > 105 111 Na 0.37500000000000 0.87500000000000 0.75000000000000 22.990 > 105 112 Na 0.87500000000000 0.87500000000000 0.75000000000000 22.990 > 105 113 Si 0.00000000000000 0.00000000000000 0.00000000000000 28.085 > 113 114 Si 0.50000000000000 0.00000000000000 0.00000000000000 28.085 > 113 115 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 113 116 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 113 117 Si 0.00000000000000 0.00000000000000 0.50000000000000 28.085 > 113 118 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 113 119 Si 0.00000000000000 0.50000000000000 0.50000000000000 28.085 > 113 120 Si 0.50000000000000 0.50000000000000 0.50000000000000 28.085 > 113 121 Si 0.25000000000000 0.25000000000000 0.00000000000000 28.085 > 121 122 Si 0.75000000000000 0.25000000000000 0.00000000000000 28.085 > 121 123 Si 0.25000000000000 0.75000000000000 0.00000000000000 28.085 > 121 124 Si 0.75000000000000 0.75000000000000 0.00000000000000 28.085 > 121 125 Si 0.25000000000000 0.25000000000000 0.50000000000000 28.085 > 121 126 Si 0.75000000000000 0.25000000000000 0.50000000000000 28.085 > 121 127 Si 0.25000000000000 0.75000000000000 0.50000000000000 28.085 > 121 128 Si 0.75000000000000 0.75000000000000 0.50000000000000 28.085 > 121 129 Ti 0.25000000000000 0.00000000000000 0.03222948793994 47.867 > 129 130 Ti 0.75000000000000 0.00000000000000 0.03222948793994 47.867 > 129 131 Ti 0.25000000000000 0.50000000000000 0.03222948793994 47.867 > 129 132 Ti 0.75000000000000 0.50000000000000 0.03222948793994 47.867 > 129 133 Ti 0.25000000000000 0.00000000000000 0.53222948793994 47.867 > 129 134 Ti 0.75000000000000 0.00000000000000 0.53222948793994 47.867 > 129 135 Ti 0.25000000000000 0.50000000000000 0.53222948793994 47.867 > 129 136 Ti 0.75000000000000 0.50000000000000 0.53222948793994 47.867 > 129 137 Ti 0.00000000000000 0.25000000000000 0.46777051206006 47.867 > 137 138 Ti 0.50000000000000 0.25000000000000 0.46777051206006 47.867 > 137 139 Ti 0.00000000000000 0.75000000000000 0.46777051206006 47.867 > 137 140 Ti 0.50000000000000 0.75000000000000 0.46777051206006 47.867 > 137 141 Ti 0.00000000000000 0.25000000000000 0.96777051206006 47.867 > 137 142 Ti 0.50000000000000 0.25000000000000 0.96777051206006 47.867 > 137 143 Ti 0.00000000000000 0.75000000000000 0.96777051206006 47.867 > 137 144 Ti 0.50000000000000 0.75000000000000 0.96777051206006 47.867 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4115849 0.0000000 0.0000000 0.0000000 3.4115849 0.0000000 0.0000000 0.0000000 2.8964132 -------------------------- Born effective charges -------------------------- 1 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 2 O -1.0021559 0.0000000 0.0000000 0.0000000 -1.0021559 0.0000000 0.0000000 0.0000000 -2.4599091 3 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 4 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 5 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 6 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 7 O -3.3666425 0.0000000 -0.0198644 0.0000000 -1.3625802 0.0000000 -0.0153675 0.0000000 -1.1746458 8 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 -0.0198644 0.0000000 -0.0153675 -1.1746458 9 O -3.3666425 0.0000000 0.0198644 0.0000000 -1.3625802 0.0000000 0.0153675 0.0000000 -1.1746458 10 O -1.3625802 0.0000000 0.0000000 0.0000000 -3.3666425 0.0198644 0.0000000 0.0153675 -1.1746458 11 Na 0.9779164 -0.0819985 -0.0416957 -0.0819985 0.9779164 0.0416957 0.0823317 -0.0823317 1.3784653 12 Na 0.9779164 0.0819985 -0.0416957 0.0819985 0.9779164 -0.0416957 0.0823317 0.0823317 1.3784653 13 Na 0.9779164 0.0819985 0.0416957 0.0819985 0.9779164 0.0416957 -0.0823317 -0.0823317 1.3784653 14 Na 0.9779164 -0.0819985 0.0416957 -0.0819985 0.9779164 -0.0416957 -0.0823317 0.0823317 1.3784653 15 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 16 Si 4.0984910 0.0000000 0.0000000 0.0000000 4.0984910 0.0000000 0.0000000 0.0000000 1.8152990 17 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 18 Ti 4.4062774 0.0000000 0.0000000 0.0000000 4.4062774 0.0000000 0.0000000 0.0000000 2.5862628 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000050 (zzz) 0.00000050 (zzz) 0.00000050 (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 ... [ 8 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.69, Number of G-points: 323, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 -0.000 -0.000) 0.000 3.496 ( 0.000 -0.000 -0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.418 ( -0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 -0.000 0.000) 0.000 5.659 ( -0.000 -0.000 0.000) 0.000 5.680 ( -0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 -0.000) 0.000 6.432 ( 0.000 -0.000 0.000) 0.000 7.122 ( 0.000 0.000 -0.000) 0.000 7.122 ( -0.000 0.000 -0.000) 0.000 7.271 ( 0.000 -0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.535 ( 0.000 0.000 -0.000) 0.000 7.788 ( -0.000 0.000 0.000) 0.000 7.788 ( 0.000 0.000 0.000) 0.000 8.177 ( -0.000 0.000 -0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.814 ( 0.000 0.000 -0.000) 0.000 9.814 ( 0.000 0.000 -0.000) 0.000 9.907 ( -0.000 0.000 0.000) 0.000 10.531 ( -0.000 0.000 0.000) 0.000 10.944 ( -0.000 0.000 -0.000) 0.000 10.944 ( -0.000 0.000 0.000) 0.000 11.529 ( 0.000 0.000 -0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 11.871 ( 0.000 0.000 0.000) 0.000 13.194 ( -0.000 0.000 0.000) 0.000 13.807 ( -0.000 0.000 -0.000) 0.000 14.983 ( 0.000 -0.000 0.000) 0.000 14.983 ( -0.000 0.000 0.000) 0.000 15.357 ( -0.000 0.000 -0.000) 0.000 15.737 ( 0.000 -0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 16.235 ( 0.000 0.000 0.000) 0.000 17.972 ( 0.000 0.000 0.000) 0.000 24.981 ( -0.000 0.000 -0.000) 0.000 25.090 ( 0.000 0.000 -0.000) 0.000 25.161 ( 0.000 0.000 -0.000) 0.000 25.210 ( 0.000 -0.000 -0.000) 0.000 26.199 ( 0.000 0.000 -0.000) 0.000 26.199 ( 0.000 0.000 0.000) 0.000 26.262 ( 0.000 -0.000 0.000) 0.000 26.289 ( -0.000 0.000 0.000) 0.000 26.289 ( -0.000 0.000 0.000) 0.000 28.953 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 40.257 0.000 0.000) 40.257 0.830 ( 42.280 0.000 0.000) 42.280 1.511 ( 74.943 0.000 0.000) 74.943 2.459 ( 6.060 0.000 0.000) 6.060 3.455 ( -4.035 0.000 0.000) 4.035 3.893 ( 6.594 0.000 0.000) 6.594 4.315 ( -9.742 0.000 0.000) 9.742 4.570 ( 1.171 0.000 0.000) 1.171 4.670 ( 22.870 0.000 0.000) 22.870 5.159 ( -4.761 0.000 0.000) 4.761 5.305 ( -17.034 0.000 0.000) 17.034 5.595 ( -5.498 0.000 0.000) 5.498 5.643 ( -5.014 0.000 0.000) 5.014 6.061 ( 19.337 0.000 0.000) 19.337 6.398 ( 0.399 0.000 0.000) 0.399 7.119 ( -25.840 0.000 0.000) 25.840 7.133 ( 1.182 0.000 0.000) 1.182 7.146 ( -7.188 0.000 0.000) 7.188 7.199 ( 6.753 0.000 0.000) 6.753 7.504 ( 6.569 0.000 0.000) 6.569 7.570 ( 9.069 0.000 0.000) 9.069 7.738 ( -2.581 0.000 0.000) 2.581 8.155 ( 25.154 0.000 0.000) 25.154 8.209 ( 3.295 0.000 0.000) 3.295 8.306 ( 12.222 0.000 0.000) 12.222 9.019 ( -1.639 0.000 0.000) 1.639 9.771 ( -11.695 0.000 0.000) 11.695 9.807 ( -0.537 0.000 0.000) 0.537 9.937 ( 8.684 0.000 0.000) 8.684 10.580 ( 4.472 0.000 0.000) 4.472 10.949 ( 0.456 0.000 0.000) 0.456 11.371 ( -13.671 0.000 0.000) 13.671 11.965 ( 7.559 0.000 0.000) 7.559 11.967 ( 7.214 0.000 0.000) 7.214 13.296 ( 11.368 0.000 0.000) 11.368 13.677 ( -12.471 0.000 0.000) 12.471 14.642 ( -15.976 0.000 0.000) 15.976 15.073 ( 8.248 0.000 0.000) 8.248 15.239 ( -26.742 0.000 0.000) 26.742 15.386 ( -7.505 0.000 0.000) 7.505 15.613 ( -12.097 0.000 0.000) 12.097 15.734 ( -0.337 0.000 0.000) 0.337 16.663 ( 25.368 0.000 0.000) 25.368 17.948 ( -2.508 0.000 0.000) 2.508 25.001 ( 1.966 0.000 0.000) 1.966 25.084 ( -0.656 0.000 0.000) 0.656 25.165 ( 0.510 0.000 0.000) 0.510 25.281 ( 7.183 0.000 0.000) 7.183 26.202 ( 0.325 0.000 0.000) 0.325 26.244 ( -4.907 0.000 0.000) 4.907 26.253 ( -1.048 0.000 0.000) 1.048 26.285 ( -0.455 0.000 0.000) 0.455 29.004 ( 5.309 0.000 0.000) 5.309 29.954 ( -1.383 0.000 0.000) 1.383 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 42.298 0.000 0.000) 42.298 1.618 ( 38.855 0.000 0.000) 38.855 2.608 ( 8.590 0.000 0.000) 8.590 2.835 ( 61.038 0.000 0.000) 61.038 3.358 ( -5.386 0.000 0.000) 5.386 4.008 ( 2.236 0.000 0.000) 2.236 4.060 ( -16.467 0.000 0.000) 16.467 4.591 ( 1.137 0.000 0.000) 1.137 5.021 ( -12.351 0.000 0.000) 12.351 5.025 ( -8.325 0.000 0.000) 8.325 5.130 ( 20.073 0.000 0.000) 20.073 5.277 ( -20.176 0.000 0.000) 20.176 5.691 ( 7.030 0.000 0.000) 7.030 6.389 ( 14.317 0.000 0.000) 14.317 6.515 ( 10.808 0.000 0.000) 10.808 6.609 ( -25.951 0.000 0.000) 25.951 7.027 ( -5.407 0.000 0.000) 5.407 7.167 ( 2.193 0.000 0.000) 2.193 7.384 ( 12.422 0.000 0.000) 12.422 7.515 ( -8.865 0.000 0.000) 8.865 7.605 ( 1.400 0.000 0.000) 1.400 7.900 ( 13.924 0.000 0.000) 13.924 8.298 ( 5.483 0.000 0.000) 5.483 8.599 ( 17.127 0.000 0.000) 17.127 8.712 ( 20.940 0.000 0.000) 20.940 8.927 ( 3.449 0.000 0.000) 3.449 9.584 ( -5.091 0.000 0.000) 5.091 9.808 ( 1.306 0.000 0.000) 1.306 10.168 ( 14.519 0.000 0.000) 14.519 10.656 ( 0.896 0.000 0.000) 0.896 10.961 ( 0.734 0.000 0.000) 0.734 11.078 ( -14.283 0.000 0.000) 14.283 12.034 ( -1.803 0.000 0.000) 1.803 12.132 ( 9.933 0.000 0.000) 9.933 13.373 ( -17.935 0.000 0.000) 17.935 13.654 ( 25.036 0.000 0.000) 25.036 13.978 ( -49.225 0.000 0.000) 49.225 14.872 ( -9.193 0.000 0.000) 9.193 15.258 ( 10.051 0.000 0.000) 10.051 15.301 ( -6.005 0.000 0.000) 6.005 15.317 ( -16.986 0.000 0.000) 16.986 15.719 ( -1.432 0.000 0.000) 1.432 17.083 ( 18.140 0.000 0.000) 18.140 17.874 ( -5.120 0.000 0.000) 5.120 25.046 ( 2.041 0.000 0.000) 2.041 25.068 ( -0.773 0.000 0.000) 0.773 25.198 ( 3.790 0.000 0.000) 3.790 25.471 ( 11.901 0.000 0.000) 11.901 26.095 ( -10.470 0.000 0.000) 10.470 26.211 ( 0.587 0.000 0.000) 0.587 26.214 ( -3.247 0.000 0.000) 3.247 26.273 ( -0.761 0.000 0.000) 0.761 29.156 ( 10.210 0.000 0.000) 10.210 29.905 ( -3.862 0.000 0.000) 3.862 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 31.500 0.000 0.000) 31.500 2.385 ( 42.770 0.000 0.000) 42.770 2.756 ( 5.657 0.000 0.000) 5.657 3.273 ( -2.508 0.000 0.000) 2.508 3.694 ( -20.642 0.000 0.000) 20.642 3.822 ( -18.654 0.000 0.000) 18.654 3.839 ( 37.612 0.000 0.000) 37.612 4.623 ( 2.502 0.000 0.000) 2.502 4.819 ( -13.195 0.000 0.000) 13.195 4.823 ( -8.306 0.000 0.000) 8.306 5.042 ( -0.874 0.000 0.000) 0.874 5.353 ( 0.892 0.000 0.000) 0.892 5.854 ( 8.151 0.000 0.000) 8.151 6.172 ( -17.088 0.000 0.000) 17.088 6.617 ( 9.696 0.000 0.000) 9.696 6.799 ( 18.652 0.000 0.000) 18.652 6.919 ( -6.204 0.000 0.000) 6.204 7.212 ( 2.382 0.000 0.000) 2.382 7.356 ( -6.727 0.000 0.000) 6.727 7.513 ( -11.049 0.000 0.000) 11.049 7.672 ( 17.074 0.000 0.000) 17.074 8.161 ( 12.305 0.000 0.000) 12.305 8.384 ( 2.139 0.000 0.000) 2.139 8.454 ( -22.291 0.000 0.000) 22.291 8.939 ( 17.379 0.000 0.000) 17.379 9.378 ( 1.487 0.000 0.000) 1.487 9.825 ( 42.412 0.000 0.000) 42.412 9.892 ( 8.201 0.000 0.000) 8.201 10.455 ( 13.364 0.000 0.000) 13.364 10.486 ( -17.175 0.000 0.000) 17.175 10.950 ( 0.151 0.000 0.000) 0.151 10.973 ( 0.399 0.000 0.000) 0.399 11.929 ( -5.953 0.000 0.000) 5.953 12.358 ( 13.650 0.000 0.000) 13.650 12.940 ( -54.832 0.000 0.000) 54.832 13.012 ( -18.971 0.000 0.000) 18.971 14.193 ( 28.579 0.000 0.000) 28.579 14.767 ( -2.792 0.000 0.000) 2.792 15.018 ( -12.655 0.000 0.000) 12.655 15.118 ( -13.180 0.000 0.000) 13.180 15.440 ( 8.567 0.000 0.000) 8.567 15.673 ( -3.451 0.000 0.000) 3.451 17.377 ( 12.677 0.000 0.000) 12.677 17.752 ( -7.438 0.000 0.000) 7.438 25.058 ( -0.251 0.000 0.000) 0.251 25.064 ( 0.003 0.000 0.000) 0.003 25.333 ( 10.050 0.000 0.000) 10.050 25.714 ( 12.175 0.000 0.000) 12.175 25.853 ( -13.518 0.000 0.000) 13.518 26.118 ( -6.796 0.000 0.000) 6.796 26.224 ( 0.761 0.000 0.000) 0.761 26.257 ( -0.878 0.000 0.000) 0.878 29.381 ( 12.483 0.000 0.000) 12.483 29.796 ( -7.545 0.000 0.000) 7.545 ======================= Grid point 4 (5/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.745 ( -10.591 0.000 0.000) 10.591 2.745 ( 10.591 0.000 0.000) 10.591 3.186 ( -39.194 0.000 0.000) 39.194 3.186 ( 39.194 0.000 0.000) 39.194 3.339 ( -12.269 0.000 0.000) 12.269 3.339 ( 12.269 0.000 0.000) 12.269 4.476 ( -24.037 0.000 0.000) 24.037 4.476 ( 24.037 0.000 0.000) 24.037 4.695 ( -5.054 0.000 0.000) 5.054 4.695 ( 5.054 0.000 0.000) 5.054 5.192 ( -12.910 0.000 0.000) 12.910 5.192 ( 12.910 0.000 0.000) 12.910 5.978 ( -5.620 0.000 0.000) 5.620 5.978 ( 5.620 0.000 0.000) 5.620 6.783 ( -7.825 0.000 0.000) 7.825 6.783 ( 7.825 0.000 0.000) 7.825 7.197 ( -20.452 0.000 0.000) 20.452 7.197 ( 20.452 0.000 0.000) 20.452 7.263 ( -3.248 0.000 0.000) 3.248 7.263 ( 3.248 0.000 0.000) 3.248 8.033 ( -20.390 0.000 0.000) 20.390 8.033 ( 20.390 0.000 0.000) 20.390 8.346 ( -6.175 0.000 0.000) 6.175 8.346 ( 6.175 0.000 0.000) 6.175 9.236 ( -12.478 0.000 0.000) 12.478 9.236 ( 12.478 0.000 0.000) 12.478 10.137 ( -16.725 0.000 0.000) 16.725 10.137 ( 16.725 0.000 0.000) 16.725 10.510 ( -15.539 0.000 0.000) 15.539 10.510 ( 15.539 0.000 0.000) 15.539 10.970 ( -0.830 0.000 0.000) 0.830 10.970 ( 0.830 0.000 0.000) 0.830 12.060 ( -28.002 0.000 0.000) 28.002 12.060 ( 28.002 0.000 0.000) 28.002 12.658 ( -17.253 0.000 0.000) 17.253 12.658 ( 17.253 0.000 0.000) 17.253 14.665 ( -15.921 0.000 0.000) 15.921 14.665 ( 15.921 0.000 0.000) 15.921 14.884 ( -2.302 0.000 0.000) 2.302 14.884 ( 2.302 0.000 0.000) 2.302 15.582 ( -6.034 0.000 0.000) 6.034 15.582 ( 6.034 0.000 0.000) 6.034 17.589 ( -9.577 0.000 0.000) 9.577 17.589 ( 9.577 0.000 0.000) 9.577 25.059 ( -0.279 0.000 0.000) 0.279 25.059 ( 0.279 0.000 0.000) 0.279 25.570 ( -13.887 0.000 0.000) 13.887 25.570 ( 13.887 0.000 0.000) 13.887 25.950 ( -10.543 0.000 0.000) 10.543 25.950 ( 10.543 0.000 0.000) 10.543 26.240 ( -0.860 0.000 0.000) 0.860 26.240 ( 0.860 0.000 0.000) 0.860 29.614 ( -11.130 0.000 0.000) 11.130 29.614 ( 11.130 0.000 0.000) 11.130 ======================= Grid point 10 (6/90) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 28.250 28.250 0.000) 39.952 1.198 ( 30.133 30.133 0.000) 42.614 2.105 ( 51.105 51.105 0.000) 72.274 2.527 ( 6.721 6.721 0.000) 9.505 3.489 ( -0.291 -0.291 0.000) 0.412 3.931 ( 5.856 5.856 0.000) 8.281 4.481 ( -1.102 -1.102 0.000) 1.559 4.491 ( 2.722 2.722 0.000) 3.850 4.748 ( 12.287 12.287 0.000) 17.376 5.112 ( -4.710 -4.710 0.000) 6.660 5.160 ( -11.775 -11.775 0.000) 16.652 5.557 ( -3.079 -3.079 0.000) 4.355 5.594 ( -4.994 -4.994 0.000) 7.063 6.255 ( 15.227 15.227 0.000) 21.534 6.310 ( -4.512 -4.512 0.000) 6.381 6.915 ( -18.388 -18.388 0.000) 26.005 7.078 ( -5.372 -5.372 0.000) 7.597 7.201 ( 3.584 3.584 0.000) 5.068 7.213 ( 4.227 4.227 0.000) 5.979 7.541 ( 6.181 6.181 0.000) 8.741 7.685 ( 7.299 7.299 0.000) 10.322 7.859 ( 5.982 5.982 0.000) 8.460 8.180 ( 7.707 7.707 0.000) 10.900 8.317 ( 6.112 6.112 0.000) 8.644 8.355 ( 8.940 8.940 0.000) 12.643 8.997 ( -3.368 -3.368 0.000) 4.763 9.681 ( -7.473 -7.473 0.000) 10.568 9.798 ( -0.797 -0.797 0.000) 1.128 10.006 ( 7.527 7.527 0.000) 10.644 10.653 ( 6.762 6.762 0.000) 9.564 10.878 ( -3.506 -3.506 0.000) 4.958 11.306 ( -8.881 -8.881 0.000) 12.560 11.683 ( -8.155 -8.155 0.000) 11.532 12.369 ( 20.569 20.569 0.000) 29.089 13.345 ( 6.334 6.334 0.000) 8.957 13.524 ( -12.574 -12.574 0.000) 17.783 14.587 ( -17.264 -17.264 0.000) 24.415 14.838 ( 1.288 1.288 0.000) 1.821 15.329 ( -0.839 -0.839 0.000) 1.187 15.602 ( -6.457 -6.457 0.000) 9.131 15.627 ( -5.169 -5.169 0.000) 7.310 15.739 ( -3.489 -3.489 0.000) 4.934 16.477 ( 9.825 9.825 0.000) 13.894 17.925 ( -2.482 -2.482 0.000) 3.510 24.935 ( -1.445 -1.445 0.000) 2.043 25.082 ( -0.193 -0.193 0.000) 0.273 25.166 ( 0.253 0.253 0.000) 0.357 25.346 ( 6.651 6.651 0.000) 9.405 26.175 ( -5.699 -5.699 0.000) 8.060 26.246 ( -0.839 -0.839 0.000) 1.186 26.260 ( 2.089 2.089 0.000) 2.955 26.298 ( -0.155 -0.155 0.000) 0.220 29.060 ( 5.804 5.804 0.000) 8.209 29.974 ( 0.563 0.563 0.000) 0.796 ======================= Grid point 11 (7/90) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 37.020 16.253 0.000) 40.431 1.837 ( 34.231 19.270 0.000) 39.282 2.696 ( 10.026 8.786 0.000) 13.331 3.124 ( 48.370 26.316 0.000) 55.065 3.430 ( -3.780 5.232 0.000) 6.455 4.080 ( 6.181 9.087 0.000) 10.990 4.244 ( -15.982 13.807 0.000) 21.120 4.557 ( 0.323 -2.738 0.000) 2.757 4.932 ( -10.896 -8.242 0.000) 13.663 4.982 ( -8.431 -4.423 0.000) 9.521 5.131 ( 20.062 1.638 0.000) 20.129 5.284 ( -19.061 2.023 0.000) 19.168 5.660 ( 8.948 -4.857 0.000) 10.181 6.303 ( 4.366 -9.269 0.000) 10.246 6.516 ( -21.286 -8.877 0.000) 23.063 6.582 ( 16.716 9.323 0.000) 19.140 6.974 ( -5.510 -4.964 0.000) 7.416 7.234 ( 1.995 6.429 0.000) 6.731 7.393 ( 12.429 1.346 0.000) 12.502 7.557 ( -5.885 8.779 0.000) 10.569 7.827 ( -3.405 11.620 0.000) 12.109 7.908 ( 11.972 5.899 0.000) 13.347 8.400 ( 4.278 9.222 0.000) 10.166 8.581 ( 24.795 -12.345 0.000) 27.698 8.639 ( 17.325 4.577 0.000) 17.919 8.864 ( -4.223 -5.898 0.000) 7.254 9.573 ( -2.492 -0.650 0.000) 2.575 9.794 ( 0.985 -1.701 0.000) 1.965 10.208 ( 12.328 4.419 0.000) 13.096 10.767 ( 0.356 8.921 0.000) 8.928 10.839 ( -1.009 -9.651 0.000) 9.704 11.052 ( -11.976 -3.313 0.000) 12.426 11.646 ( 2.526 -17.619 0.000) 17.799 12.649 ( 6.658 31.886 0.000) 32.573 13.240 ( -16.156 -11.359 0.000) 19.750 13.620 ( 22.986 -3.493 0.000) 23.250 14.009 ( -40.738 0.274 0.000) 40.739 14.913 ( 2.785 -8.748 0.000) 9.181 15.187 ( -12.772 10.230 0.000) 16.364 15.330 ( -16.006 1.131 0.000) 16.046 15.529 ( -4.495 11.016 0.000) 11.898 15.614 ( -0.555 -10.113 0.000) 10.129 16.907 ( 22.851 -12.411 0.000) 26.004 17.850 ( -5.289 -2.588 0.000) 5.889 24.976 ( 4.623 -4.894 0.000) 6.733 25.077 ( -0.324 0.729 0.000) 0.798 25.179 ( 1.476 -0.536 0.000) 1.570 25.524 ( 11.106 5.314 0.000) 12.312 26.025 ( -10.081 -5.953 0.000) 11.707 26.211 ( -2.976 -0.055 0.000) 2.977 26.268 ( -0.576 2.816 0.000) 2.875 26.276 ( -1.706 -0.942 0.000) 1.949 29.224 ( 10.876 6.955 0.000) 12.910 29.955 ( -2.630 4.110 0.000) 4.880 ======================= Grid point 12 (8/90) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 36.437 6.930 0.000) 37.090 2.466 ( 29.307 13.690 0.000) 32.347 2.888 ( 9.638 13.008 0.000) 16.189 3.323 ( -4.329 3.829 0.000) 5.779 3.864 ( 9.504 3.658 0.000) 10.184 3.888 ( -19.954 15.386 0.000) 25.197 4.062 ( 5.151 23.005 0.000) 23.575 4.558 ( -0.108 -5.323 0.000) 5.324 4.751 ( -7.690 -7.037 0.000) 10.424 4.788 ( -11.308 -3.518 0.000) 11.843 5.071 ( 1.229 3.583 0.000) 3.788 5.372 ( 2.897 2.399 0.000) 3.762 5.862 ( 9.532 0.210 0.000) 9.534 6.154 ( -14.321 -1.592 0.000) 14.410 6.443 ( 9.948 -14.513 0.000) 17.595 6.848 ( -8.002 -7.054 0.000) 10.667 6.905 ( 17.334 8.365 0.000) 19.246 7.282 ( 3.078 6.921 0.000) 7.574 7.405 ( -8.052 6.244 0.000) 10.190 7.655 ( -13.050 11.500 0.000) 17.394 7.681 ( 16.854 1.482 0.000) 16.919 8.163 ( 10.726 0.788 0.000) 10.755 8.441 ( -17.274 -0.773 0.000) 17.291 8.459 ( 0.742 7.279 0.000) 7.317 8.981 ( 17.255 4.389 0.000) 17.805 9.325 ( 14.876 -6.894 0.000) 16.396 9.669 ( 24.020 -9.093 0.000) 25.683 9.871 ( 7.877 -2.506 0.000) 8.266 10.414 ( 5.900 -4.015 0.000) 7.137 10.514 ( -19.924 -0.663 0.000) 19.935 10.840 ( 2.093 -10.947 0.000) 11.146 11.007 ( 0.739 1.535 0.000) 1.704 11.770 ( 11.804 -6.228 0.000) 13.346 12.688 ( 0.531 26.245 0.000) 26.250 12.898 ( -23.032 -5.866 0.000) 23.767 13.144 ( -40.904 12.906 0.000) 42.892 14.148 ( 28.672 -4.891 0.000) 29.086 14.911 ( -1.861 2.370 0.000) 3.013 14.961 ( -11.921 -2.545 0.000) 12.190 15.053 ( -11.406 3.618 0.000) 11.966 15.512 ( 1.129 4.133 0.000) 4.284 15.592 ( -1.695 -7.670 0.000) 7.855 17.277 ( 15.760 -8.630 0.000) 17.968 17.720 ( -8.155 -3.287 0.000) 8.792 25.058 ( 2.475 -0.557 0.000) 2.537 25.073 ( 0.009 1.479 0.000) 1.479 25.264 ( 8.526 -4.848 0.000) 9.808 25.732 ( 3.372 -0.242 0.000) 3.380 25.805 ( -5.718 -1.697 0.000) 5.964 26.124 ( -6.117 0.747 0.000) 6.163 26.248 ( -0.973 -2.042 0.000) 2.262 26.252 ( -0.887 0.886 0.000) 1.254 29.459 ( 12.830 7.883 0.000) 15.058 29.866 ( -6.756 6.530 0.000) 9.396 ======================= Grid point 13 (9/90) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( -4.096 7.966 0.000) 8.958 2.840 ( 4.096 7.966 0.000) 8.958 3.183 ( -17.964 4.127 0.000) 18.432 3.183 ( 17.964 4.127 0.000) 18.432 3.611 ( -1.078 20.430 0.000) 20.458 3.611 ( 1.078 20.430 0.000) 20.458 4.445 ( -16.333 -1.525 0.000) 16.404 4.445 ( 16.333 -1.525 0.000) 16.404 4.652 ( -1.448 -4.780 0.000) 4.994 4.652 ( 1.448 -4.780 0.000) 4.994 5.248 ( -12.357 5.919 0.000) 13.701 5.248 ( 12.357 5.919 0.000) 13.701 5.989 ( -4.896 1.347 0.000) 5.078 5.989 ( 4.896 1.347 0.000) 5.078 6.659 ( -11.246 -11.890 0.000) 16.366 6.659 ( 11.246 -11.890 0.000) 16.366 7.231 ( -13.335 4.253 0.000) 13.997 7.231 ( 13.335 4.253 0.000) 13.997 7.387 ( -10.326 10.429 0.000) 14.677 7.387 ( 10.326 10.429 0.000) 14.677 8.024 ( -18.071 -0.051 0.000) 18.071 8.024 ( 18.071 -0.051 0.000) 18.071 8.403 ( -6.299 5.708 0.000) 8.500 8.403 ( 6.299 5.708 0.000) 8.500 9.267 ( -11.268 3.115 0.000) 11.691 9.267 ( 11.268 3.115 0.000) 11.691 10.094 ( -10.600 -4.424 0.000) 11.486 10.094 ( 10.600 -4.424 0.000) 11.486 10.299 ( -15.385 -16.563 0.000) 22.606 10.299 ( 15.385 -16.563 0.000) 22.606 10.946 ( -6.749 -5.277 0.000) 8.567 10.946 ( 6.749 -5.277 0.000) 8.567 12.200 ( -34.353 10.716 0.000) 35.986 12.200 ( 34.353 10.716 0.000) 35.986 12.763 ( -8.544 11.886 0.000) 14.638 12.763 ( 8.544 11.886 0.000) 14.638 14.645 ( -21.501 -5.648 0.000) 22.231 14.645 ( 21.501 -5.648 0.000) 22.231 14.913 ( -3.174 5.901 0.000) 6.701 14.913 ( 3.174 5.901 0.000) 6.701 15.550 ( -2.442 -3.040 0.000) 3.899 15.550 ( 2.442 -3.040 0.000) 3.899 17.534 ( -11.255 -5.163 0.000) 12.382 17.534 ( 11.255 -5.163 0.000) 12.382 25.075 ( -0.010 1.649 0.000) 1.649 25.075 ( 0.010 1.649 0.000) 1.649 25.494 ( -14.178 -6.233 0.000) 15.488 25.494 ( 14.178 -6.233 0.000) 15.488 25.972 ( -9.596 2.246 0.000) 9.855 25.972 ( 9.596 2.246 0.000) 9.855 26.241 ( -0.169 -1.281 0.000) 1.292 26.241 ( 0.169 -1.281 0.000) 1.292 29.694 ( -10.896 7.816 0.000) 13.410 29.694 ( 10.896 7.816 0.000) 13.410 ======================= Grid point 20 (10/90) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 25.475 25.475 0.000) 36.027 2.268 ( 24.438 24.438 0.000) 34.561 2.926 ( 14.447 14.447 0.000) 20.431 3.464 ( -1.405 -1.405 0.000) 1.987 3.642 ( 22.127 22.127 0.000) 31.292 4.299 ( -9.032 -9.032 0.000) 12.773 4.406 ( 21.944 21.944 0.000) 31.033 4.543 ( -0.418 -0.418 0.000) 0.591 4.747 ( -9.901 -9.901 0.000) 14.002 4.860 ( -8.022 -8.022 0.000) 11.344 5.273 ( 12.353 12.353 0.000) 17.470 5.336 ( -6.789 -6.789 0.000) 9.601 5.507 ( 1.433 1.433 0.000) 2.027 6.183 ( -1.880 -1.880 0.000) 2.659 6.311 ( -11.091 -11.091 0.000) 15.684 6.814 ( 13.461 13.461 0.000) 19.037 6.854 ( -7.712 -7.712 0.000) 10.906 7.361 ( 4.432 4.432 0.000) 6.268 7.490 ( 11.057 11.057 0.000) 15.637 7.724 ( -3.143 -3.143 0.000) 4.445 7.838 ( 5.516 5.516 0.000) 7.800 8.325 ( 4.187 4.187 0.000) 5.922 8.351 ( 13.896 13.896 0.000) 19.651 8.568 ( 6.461 6.461 0.000) 9.137 8.727 ( -5.242 -5.242 0.000) 7.413 8.811 ( 13.519 13.519 0.000) 19.119 9.577 ( 0.961 0.961 0.000) 1.359 9.755 ( -1.443 -1.443 0.000) 2.040 10.326 ( 6.546 6.546 0.000) 9.258 10.669 ( -7.343 -7.343 0.000) 10.384 10.860 ( -13.968 -13.968 0.000) 19.754 10.877 ( -3.228 -3.228 0.000) 4.566 11.536 ( 8.565 8.565 0.000) 12.113 13.005 ( -11.931 -11.931 0.000) 16.872 13.250 ( 22.714 22.714 0.000) 32.123 13.556 ( 3.075 3.075 0.000) 4.349 13.859 ( -18.415 -18.415 0.000) 26.043 14.712 ( -7.842 -7.842 0.000) 11.090 15.328 ( -5.878 -5.878 0.000) 8.312 15.337 ( 0.732 0.732 0.000) 1.035 15.409 ( -5.016 -5.016 0.000) 7.093 15.602 ( -2.817 -2.817 0.000) 3.984 16.862 ( 9.378 9.378 0.000) 13.262 17.771 ( -5.665 -5.665 0.000) 8.011 24.949 ( 2.824 2.824 0.000) 3.994 25.092 ( 0.873 0.873 0.000) 1.235 25.181 ( 0.501 0.501 0.000) 0.709 25.662 ( 8.121 8.121 0.000) 11.485 25.892 ( -7.676 -7.676 0.000) 10.856 26.200 ( -1.440 -1.440 0.000) 2.037 26.219 ( -4.392 -4.392 0.000) 6.211 26.270 ( -2.335 -2.335 0.000) 3.302 29.414 ( 12.156 12.156 0.000) 17.192 30.020 ( 1.861 1.861 0.000) 2.632 ======================= Grid point 21 (11/90) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( 24.880 12.674 0.000) 27.923 2.750 ( 24.026 15.023 0.000) 28.336 3.222 ( 14.746 20.610 0.000) 25.342 3.380 ( -6.285 1.619 0.000) 6.490 3.951 ( 8.907 5.079 0.000) 10.253 4.034 ( -15.511 -4.106 0.000) 16.045 4.502 ( -2.321 0.124 0.000) 2.325 4.575 ( -7.260 -10.375 0.000) 12.663 4.608 ( -7.179 28.325 0.000) 29.220 4.684 ( -9.749 -6.595 0.000) 11.770 5.202 ( 6.832 10.024 0.000) 12.131 5.467 ( 4.739 7.284 0.000) 8.690 5.790 ( 18.758 -9.926 0.000) 21.223 6.127 ( -7.201 -0.922 0.000) 7.260 6.193 ( 2.694 -7.235 0.000) 7.720 6.655 ( -13.197 -12.993 0.000) 18.519 7.083 ( 14.281 9.677 0.000) 17.251 7.435 ( 4.523 6.772 0.000) 8.143 7.548 ( -10.485 5.661 0.000) 11.916 7.782 ( 17.283 10.943 0.000) 20.456 7.809 ( -10.751 0.920 0.000) 10.791 8.316 ( 0.859 19.110 0.000) 19.129 8.447 ( -3.340 2.225 0.000) 4.013 8.638 ( 0.370 10.585 0.000) 10.591 9.109 ( 15.614 8.689 0.000) 17.869 9.133 ( 33.468 -9.415 0.000) 34.767 9.603 ( 3.427 0.554 0.000) 3.472 9.786 ( 6.153 -5.795 0.000) 8.452 10.331 ( -10.031 -3.561 0.000) 10.645 10.442 ( -23.410 -5.820 0.000) 24.123 10.616 ( 3.721 -12.801 0.000) 13.331 10.828 ( -4.324 -19.042 0.000) 19.526 11.871 ( 23.653 14.766 0.000) 27.883 12.795 ( -11.183 -3.247 0.000) 11.645 13.227 ( -10.732 26.650 0.000) 28.730 13.348 ( -28.811 5.324 0.000) 29.299 13.994 ( 27.571 -10.668 0.000) 29.563 14.606 ( -5.420 -17.880 0.000) 18.683 15.156 ( -6.706 6.983 0.000) 9.682 15.228 ( -8.345 12.430 0.000) 14.972 15.424 ( 2.546 -8.386 0.000) 8.764 15.547 ( -2.741 -0.034 0.000) 2.741 17.137 ( 15.815 -3.709 0.000) 16.244 17.629 ( -9.111 -6.071 0.000) 10.948 25.062 ( 6.957 2.069 0.000) 7.258 25.110 ( 0.903 2.194 0.000) 2.373 25.207 ( 3.564 -1.091 0.000) 3.727 25.653 ( -11.837 -5.174 0.000) 12.919 25.874 ( 8.043 6.158 0.000) 10.130 26.141 ( -4.672 0.619 0.000) 4.713 26.149 ( -1.920 -8.030 0.000) 8.256 26.210 ( -3.300 -5.207 0.000) 6.165 29.664 ( 12.947 12.495 0.000) 17.993 30.008 ( -3.431 7.052 0.000) 7.842 ======================= Grid point 22 (12/90) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( -6.793 8.161 0.000) 10.618 2.999 ( 6.793 8.161 0.000) 10.618 3.333 ( -4.707 9.275 0.000) 10.401 3.333 ( 4.707 9.275 0.000) 10.401 3.918 ( -7.152 8.673 0.000) 11.241 3.918 ( 7.152 8.673 0.000) 11.241 4.494 ( -2.076 0.847 0.000) 2.242 4.494 ( 2.076 0.847 0.000) 2.242 4.520 ( -5.088 -1.734 0.000) 5.376 4.520 ( 5.088 -1.734 0.000) 5.376 5.414 ( -9.388 10.422 0.000) 14.027 5.414 ( 9.388 10.422 0.000) 14.027 6.030 ( -5.055 2.457 0.000) 5.621 6.030 ( 5.055 2.457 0.000) 5.621 6.363 ( -15.200 -17.555 0.000) 23.221 6.363 ( 15.200 -17.555 0.000) 23.221 7.343 ( -11.760 6.453 0.000) 13.414 7.343 ( 11.760 6.453 0.000) 13.414 7.574 ( -10.683 6.084 0.000) 12.294 7.574 ( 10.683 6.084 0.000) 12.294 8.107 ( -15.607 10.861 0.000) 19.015 8.107 ( 15.607 10.861 0.000) 19.015 8.568 ( -7.315 12.091 0.000) 14.131 8.568 ( 7.315 12.091 0.000) 14.131 9.350 ( -7.313 5.151 0.000) 8.945 9.350 ( 7.313 5.151 0.000) 8.945 9.957 ( -23.996 -9.887 0.000) 25.953 9.957 ( 23.996 -9.887 0.000) 25.953 10.029 ( -15.713 -9.330 0.000) 18.274 10.029 ( 15.713 -9.330 0.000) 18.274 10.726 ( -6.009 -17.283 0.000) 18.298 10.726 ( 6.009 -17.283 0.000) 18.298 12.400 ( -29.005 10.913 0.000) 30.990 12.400 ( 29.005 10.913 0.000) 30.990 13.070 ( -1.674 16.158 0.000) 16.245 13.070 ( 1.674 16.158 0.000) 16.245 14.419 ( -15.505 -15.852 0.000) 22.174 14.419 ( 15.505 -15.852 0.000) 22.174 15.113 ( -2.326 12.534 0.000) 12.748 15.113 ( 2.326 12.534 0.000) 12.748 15.484 ( -3.532 -3.078 0.000) 4.685 15.484 ( 3.532 -3.078 0.000) 4.685 17.417 ( -12.823 -6.165 0.000) 14.228 17.417 ( 12.823 -6.165 0.000) 14.228 25.122 ( -0.074 3.138 0.000) 3.139 25.122 ( 0.074 3.138 0.000) 3.139 25.389 ( -13.644 -3.719 0.000) 14.142 25.389 ( 13.644 -3.719 0.000) 14.142 26.028 ( -7.053 2.990 0.000) 7.661 26.028 ( 7.053 2.990 0.000) 7.661 26.153 ( -2.079 -7.585 0.000) 7.865 26.153 ( 2.079 -7.585 0.000) 7.865 29.884 ( -9.255 10.829 0.000) 14.246 29.884 ( 9.255 10.829 0.000) 14.246 ======================= Grid point 30 (13/90) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.913 ( 14.197 14.197 0.000) 20.077 3.043 ( 14.830 14.830 0.000) 20.973 3.374 ( -1.924 -1.924 0.000) 2.721 3.636 ( 19.280 19.280 0.000) 27.266 3.818 ( -13.506 -13.506 0.000) 19.100 4.053 ( 4.859 4.859 0.000) 6.872 4.372 ( -9.591 -9.591 0.000) 13.564 4.448 ( -7.056 -7.056 0.000) 9.978 4.607 ( 0.552 0.552 0.000) 0.781 4.923 ( -1.649 -1.649 0.000) 2.332 5.428 ( 11.943 11.943 0.000) 16.890 5.596 ( 4.239 4.239 0.000) 5.995 5.654 ( 4.845 4.845 0.000) 6.852 6.123 ( 0.385 0.385 0.000) 0.545 6.153 ( 0.172 0.172 0.000) 0.244 6.346 ( -18.572 -18.572 0.000) 26.265 7.272 ( 9.838 9.838 0.000) 13.913 7.520 ( 3.209 3.209 0.000) 4.538 7.564 ( -3.284 -3.284 0.000) 4.644 7.732 ( -6.944 -6.944 0.000) 9.821 8.087 ( 17.519 17.519 0.000) 24.776 8.455 ( -0.614 -0.614 0.000) 0.868 8.819 ( 18.146 18.146 0.000) 25.662 8.842 ( 9.438 9.438 0.000) 13.348 9.115 ( 15.491 15.491 0.000) 21.907 9.304 ( 10.827 10.827 0.000) 15.311 9.622 ( 0.683 0.683 0.000) 0.966 9.703 ( -0.373 -0.373 0.000) 0.528 10.268 ( -11.434 -11.434 0.000) 16.170 10.291 ( -14.307 -14.307 0.000) 20.233 10.321 ( -10.378 -10.378 0.000) 14.676 10.420 ( -15.961 -15.961 0.000) 22.572 12.235 ( 21.619 21.619 0.000) 30.574 12.795 ( 1.916 1.916 0.000) 2.710 13.288 ( -10.123 -10.123 0.000) 14.315 13.490 ( -6.995 -6.995 0.000) 9.893 13.905 ( 9.077 9.077 0.000) 12.837 14.316 ( -11.169 -11.169 0.000) 15.796 15.303 ( -0.471 -0.471 0.000) 0.666 15.321 ( 6.451 6.451 0.000) 9.123 15.331 ( -0.827 -0.827 0.000) 1.169 15.550 ( -0.228 -0.228 0.000) 0.323 17.162 ( 5.724 5.724 0.000) 8.095 17.489 ( -8.298 -8.298 0.000) 11.736 25.153 ( 2.103 2.103 0.000) 2.974 25.162 ( 7.734 7.734 0.000) 10.937 25.201 ( 0.459 0.459 0.000) 0.649 25.547 ( -6.766 -6.766 0.000) 9.569 25.986 ( -6.609 -6.609 0.000) 9.347 25.999 ( 6.102 6.102 0.000) 8.630 26.068 ( -7.619 -7.619 0.000) 10.775 26.147 ( -1.117 -1.117 0.000) 1.579 29.904 ( 11.293 11.293 0.000) 15.970 30.102 ( 1.973 1.973 0.000) 2.790 ======================= Grid point 31 (14/90) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -7.701 6.480 0.000) 10.065 3.146 ( 7.701 6.480 0.000) 10.065 3.472 ( -15.272 4.307 0.000) 15.867 3.472 ( 15.272 4.307 0.000) 15.867 4.014 ( -12.452 4.022 0.000) 13.086 4.014 ( 12.452 4.022 0.000) 13.086 4.307 ( -5.028 -10.543 0.000) 11.680 4.307 ( 5.028 -10.543 0.000) 11.680 4.719 ( -11.248 11.340 0.000) 15.972 4.719 ( 11.248 11.340 0.000) 15.972 5.595 ( -4.517 7.017 0.000) 8.345 5.595 ( 4.517 7.017 0.000) 8.345 5.948 ( -19.969 -14.303 0.000) 24.563 5.948 ( 19.969 -14.303 0.000) 24.563 6.150 ( -0.476 0.115 0.000) 0.490 6.150 ( 0.476 0.115 0.000) 0.490 7.452 ( -8.129 4.480 0.000) 9.282 7.452 ( 8.129 4.480 0.000) 9.282 7.598 ( -5.606 -1.841 0.000) 5.901 7.598 ( 5.606 -1.841 0.000) 5.901 8.360 ( -9.700 10.425 0.000) 14.240 8.360 ( 9.700 10.425 0.000) 14.240 8.936 ( -0.351 26.721 0.000) 26.724 8.936 ( 0.351 26.721 0.000) 26.724 9.448 ( -0.047 4.399 0.000) 4.399 9.448 ( 0.047 4.399 0.000) 4.399 9.800 ( -23.757 -5.906 0.000) 24.480 9.800 ( 23.757 -5.906 0.000) 24.480 9.888 ( -17.341 -5.535 0.000) 18.203 9.888 ( 17.341 -5.535 0.000) 18.203 10.306 ( -1.660 -24.950 0.000) 25.005 10.306 ( 1.660 -24.950 0.000) 25.005 12.656 ( -19.154 15.719 0.000) 24.778 12.656 ( 19.154 15.719 0.000) 24.778 13.242 ( -10.309 -1.090 0.000) 10.367 13.242 ( 10.309 -1.090 0.000) 10.367 14.130 ( -10.182 -11.016 0.000) 15.001 14.130 ( 10.182 -11.016 0.000) 15.001 15.293 ( -1.472 3.723 0.000) 4.003 15.293 ( 1.472 3.723 0.000) 4.003 15.483 ( -6.819 4.171 0.000) 7.993 15.483 ( 6.819 4.171 0.000) 7.993 17.316 ( -9.195 -3.926 0.000) 9.998 17.316 ( 9.195 -3.926 0.000) 9.998 25.185 ( -1.104 2.763 0.000) 2.975 25.185 ( 1.104 2.763 0.000) 2.975 25.367 ( -11.179 1.469 0.000) 11.276 25.367 ( 11.179 1.469 0.000) 11.276 25.951 ( -3.170 -9.999 0.000) 10.490 25.951 ( 3.170 -9.999 0.000) 10.490 26.100 ( -3.901 2.180 0.000) 4.469 26.100 ( 3.901 2.180 0.000) 4.469 30.070 ( -5.368 7.401 0.000) 9.143 30.070 ( 5.368 7.401 0.000) 9.143 ======================= Grid point 44 (15/90) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.216 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.508 ( -0.000 -0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.142 ( -0.000 -0.000 0.000) 0.000 4.142 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 5.765 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.564 ( -0.000 -0.000 0.000) 0.000 7.564 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 9.379 ( -0.000 -0.000 0.000) 0.000 9.379 ( -0.000 -0.000 0.000) 0.000 9.502 ( -0.000 -0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.894 ( -0.000 -0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 12.925 ( -0.000 -0.000 0.000) 0.000 12.925 ( 0.000 0.000 0.000) 0.000 13.097 ( -0.000 -0.000 0.000) 0.000 13.097 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 0.000 0.000) 0.000 15.549 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 17.277 ( 0.000 0.000 0.000) 0.000 25.211 ( 0.000 0.000 0.000) 0.000 25.211 ( 0.000 0.000 0.000) 0.000 25.404 ( 0.000 0.000 0.000) 0.000 25.404 ( 0.000 0.000 0.000) 0.000 25.828 ( -0.000 -0.000 0.000) 0.000 25.828 ( 0.000 0.000 0.000) 0.000 26.124 ( 0.000 0.000 0.000) 0.000 26.124 ( 0.000 0.000 0.000) 0.000 30.144 ( 0.000 0.000 0.000) 0.000 30.144 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 81 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 0.000 40.129) 40.129 0.797 ( 0.000 -0.000 40.129) 40.129 1.200 ( 0.000 0.000 60.546) 60.546 2.396 ( 0.000 0.000 -0.055) 0.055 3.484 ( 0.000 0.000 -1.298) 1.298 3.484 ( -0.000 -0.000 -1.298) 1.298 4.182 ( 0.000 0.000 -30.376) 30.376 4.354 ( 0.000 0.000 -6.327) 6.327 4.354 ( 0.000 0.000 -6.327) 6.327 5.490 ( -0.000 -0.000 -14.040) 14.040 5.704 ( 0.000 0.000 1.639) 1.639 5.704 ( 0.000 0.000 1.639) 1.639 5.858 ( 0.000 0.000 -21.074) 21.074 5.989 ( 0.000 0.000 26.295) 26.295 6.559 ( 0.000 0.000 7.184) 7.184 7.067 ( 0.000 -0.000 -5.470) 5.470 7.067 ( 0.000 0.000 -5.470) 5.470 7.259 ( 0.000 0.000 -13.353) 13.353 7.259 ( -0.000 -0.000 -13.353) 13.353 7.314 ( 0.000 0.000 4.315) 4.315 7.623 ( 0.000 0.000 -7.101) 7.101 7.623 ( 0.000 0.000 -7.101) 7.101 7.634 ( 0.000 0.000 9.225) 9.225 8.497 ( -0.000 -0.000 22.035) 22.035 8.497 ( 0.000 -0.000 22.035) 22.035 8.957 ( 0.000 0.000 -6.905) 6.905 9.778 ( -0.000 -0.000 -3.534) 3.534 9.778 ( 0.000 0.000 -3.534) 3.534 10.502 ( -0.000 -0.000 -2.893) 2.893 10.762 ( -0.000 -0.000 -13.336) 13.336 10.963 ( 0.000 0.000 1.884) 1.884 10.963 ( 0.000 0.000 1.884) 1.884 11.493 ( 0.000 0.000 -3.558) 3.558 11.890 ( -0.000 -0.000 1.841) 1.841 11.890 ( 0.000 -0.000 1.841) 1.841 13.095 ( 0.000 0.000 -9.542) 9.542 13.817 ( -0.000 -0.000 0.968) 0.968 14.957 ( 0.000 0.000 -2.545) 2.545 14.957 ( 0.000 0.000 -2.545) 2.545 15.403 ( 0.000 0.000 4.461) 4.461 15.734 ( 0.000 0.000 -0.372) 0.372 15.734 ( 0.000 0.000 -0.372) 0.372 16.328 ( 0.000 0.000 8.875) 8.875 18.574 ( 0.000 0.000 2.372) 2.372 24.988 ( 0.000 0.000 0.676) 0.676 25.196 ( 0.000 0.000 -1.350) 1.350 25.200 ( 0.000 0.000 3.647) 3.647 25.828 ( -0.000 -0.000 -6.102) 6.102 26.197 ( 0.000 0.000 -0.230) 0.230 26.197 ( -0.000 -0.000 -0.230) 0.230 26.281 ( 0.000 0.000 -0.786) 0.786 26.281 ( 0.000 0.000 -0.786) 0.786 26.350 ( 0.000 0.000 7.571) 7.571 30.128 ( 0.000 0.000 -0.621) 0.621 ======================= Grid point 82 (17/90) ======================= q-point: ( 0.12 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 24.435 0.000 26.647) 36.154 1.145 ( 29.987 0.000 27.287) 40.544 1.967 ( 58.794 0.000 37.802) 69.898 2.459 ( 6.092 0.000 -0.006) 6.093 3.438 ( -4.309 0.000 -1.900) 4.709 3.746 ( 14.976 0.000 -9.054) 17.500 4.204 ( 0.879 0.000 -23.210) 23.227 4.288 ( -5.483 0.000 -9.207) 10.716 4.595 ( 21.243 0.000 -7.402) 22.495 5.350 ( -18.773 0.000 -0.779) 18.789 5.457 ( -16.864 0.000 8.506) 18.888 5.513 ( -8.378 0.000 -1.561) 8.523 5.663 ( -5.883 0.000 2.369) 6.342 6.227 ( 15.690 0.000 16.013) 22.418 6.240 ( -3.883 0.000 -10.962) 11.630 7.052 ( -8.474 0.000 -6.249) 10.528 7.073 ( 0.141 0.000 -5.328) 5.330 7.169 ( -3.344 0.000 -0.026) 3.344 7.232 ( -0.719 0.000 -0.007) 0.719 7.465 ( 8.420 0.000 -11.673) 14.393 7.499 ( 2.619 0.000 2.902) 3.909 7.586 ( -2.114 0.000 -3.089) 3.743 8.007 ( 25.859 0.000 -7.042) 26.801 8.498 ( 0.243 0.000 20.101) 20.103 8.527 ( 2.479 0.000 11.680) 11.940 8.996 ( 3.217 0.000 -0.488) 3.254 9.774 ( -0.186 0.000 -3.234) 3.239 9.801 ( -8.160 0.000 -0.265) 8.164 9.950 ( -1.456 0.000 1.963) 2.444 10.558 ( 5.183 0.000 -2.199) 5.631 10.966 ( 0.315 0.000 1.749) 1.778 11.346 ( -13.058 0.000 -2.575) 13.310 11.967 ( 6.724 0.000 0.011) 6.724 11.978 ( 7.429 0.000 1.376) 7.555 13.197 ( 11.702 0.000 -9.674) 15.183 13.688 ( -12.342 0.000 1.099) 12.391 13.733 ( 80.185 0.000 -91.535) 121.689 14.699 ( -27.764 0.000 -4.941) 28.200 15.046 ( 8.220 0.000 -2.577) 8.614 15.381 ( -2.645 0.000 3.844) 4.666 15.608 ( -12.459 0.000 -1.005) 12.500 15.729 ( -0.521 0.000 -0.554) 0.760 16.529 ( 21.894 0.000 3.921) 22.243 18.357 ( -13.840 0.000 17.034) 21.948 24.976 ( 0.129 0.000 -0.089) 0.157 25.199 ( 0.002 0.000 3.694) 3.694 25.262 ( 3.659 0.000 0.901) 3.768 25.289 ( -7.236 0.000 10.401) 12.670 26.153 ( -3.480 0.000 -6.633) 7.490 26.200 ( 0.304 0.000 -0.251) 0.394 26.262 ( -1.601 0.000 -0.655) 1.730 26.277 ( -0.421 0.000 -0.753) 0.863 27.976 ( 69.152 0.000 -51.786) 86.393 30.033 ( -7.248 0.000 1.696) 7.444 ======================= Grid point 83 (18/90) ======================= q-point: ( 0.25 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 36.069 0.000 8.453) 37.046 1.785 ( 34.047 0.000 15.954) 37.599 2.608 ( 8.601 0.000 0.046) 8.601 3.098 ( 54.250 0.000 23.041) 58.940 3.343 ( -4.890 0.000 -1.652) 5.161 3.936 ( 2.552 0.000 -6.508) 6.991 4.047 ( -14.233 0.000 -1.426) 14.304 4.311 ( 5.140 0.000 -21.586) 22.190 4.908 ( 0.716 0.000 -14.111) 14.129 5.085 ( -5.464 0.000 1.661) 5.711 5.139 ( -15.681 0.000 6.289) 16.895 5.365 ( -3.857 0.000 4.153) 5.668 5.644 ( 6.293 0.000 -4.318) 7.632 6.325 ( 9.223 0.000 -15.779) 18.277 6.495 ( 11.549 0.000 9.358) 14.864 6.726 ( -19.836 0.000 8.302) 21.503 7.042 ( -3.194 0.000 -1.302) 3.449 7.167 ( 2.234 0.000 2.173) 3.117 7.332 ( 7.565 0.000 -3.065) 8.162 7.430 ( -6.883 0.000 -8.259) 10.751 7.601 ( 5.262 0.000 -0.846) 5.330 7.742 ( 13.710 0.000 -8.207) 15.979 8.504 ( -0.069 0.000 13.823) 13.823 8.526 ( 3.533 0.000 -6.740) 7.610 8.682 ( 34.154 0.000 -3.660) 34.350 9.028 ( 1.893 0.000 9.535) 9.722 9.592 ( -6.532 0.000 0.212) 6.536 9.792 ( 2.811 0.000 -1.387) 3.135 10.141 ( 14.241 0.000 -2.657) 14.487 10.657 ( 2.853 0.000 -0.013) 2.853 10.973 ( 0.184 0.000 1.206) 1.220 11.059 ( -14.335 0.000 -1.840) 14.453 12.022 ( -2.279 0.000 -1.158) 2.557 12.147 ( 10.079 0.000 1.470) 10.186 13.388 ( -17.772 0.000 1.406) 17.828 13.564 ( 25.278 0.000 -8.548) 26.684 13.920 ( -47.843 0.000 -8.893) 48.663 14.443 ( 12.161 0.000 -36.747) 38.706 15.231 ( 10.071 0.000 -2.608) 10.403 15.277 ( -11.986 0.000 0.234) 11.988 15.303 ( -14.309 0.000 -1.699) 14.409 15.709 ( -1.726 0.000 -1.023) 2.006 17.012 ( 23.982 0.000 0.040) 23.982 18.135 ( -10.041 0.000 17.885) 20.511 25.010 ( 2.829 0.000 -0.732) 2.922 25.170 ( -2.803 0.000 6.642) 7.209 25.231 ( 2.914 0.000 3.245) 4.361 25.456 ( 11.744 0.000 -1.438) 11.831 26.043 ( -8.244 0.000 -4.576) 9.428 26.206 ( -4.240 0.000 -0.860) 4.326 26.208 ( 0.549 0.000 -0.306) 0.629 26.266 ( -0.708 0.000 -0.670) 0.975 28.836 ( 28.624 0.000 -25.894) 38.599 29.902 ( -6.409 0.000 -0.506) 6.429 ======================= Grid point 84 (19/90) ======================= q-point: ( 0.38 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 39.223 0.000 -1.585) 39.255 2.399 ( 28.006 0.000 8.877) 29.379 2.758 ( 5.928 0.000 0.244) 5.933 3.275 ( -1.176 0.000 0.304) 1.215 3.715 ( -23.753 0.000 -9.805) 25.697 3.720 ( -19.004 0.000 2.328) 19.146 3.989 ( 35.319 0.000 12.736) 37.545 4.438 ( 7.990 0.000 -14.502) 16.557 4.791 ( -9.059 0.000 -2.449) 9.384 4.857 ( -13.492 0.000 0.503) 13.502 5.017 ( 2.742 0.000 -1.240) 3.009 5.386 ( -1.806 0.000 1.044) 2.086 5.838 ( 11.331 0.000 -0.637) 11.349 6.287 ( -15.732 0.000 7.190) 17.297 6.660 ( 17.423 0.000 -9.885) 20.032 6.679 ( 8.104 0.000 4.509) 9.274 6.956 ( -5.790 0.000 1.007) 5.877 7.214 ( 2.176 0.000 2.070) 3.003 7.311 ( -4.646 0.000 -3.231) 5.659 7.367 ( -7.640 0.000 -8.893) 11.724 7.743 ( 12.004 0.000 2.336) 12.229 8.027 ( 15.076 0.000 -9.145) 17.633 8.367 ( -15.689 0.000 -8.265) 17.733 8.462 ( -5.144 0.000 4.039) 6.541 9.042 ( 9.723 0.000 9.063) 13.292 9.359 ( 3.849 0.000 -2.077) 4.374 9.791 ( 40.383 0.000 -3.158) 40.506 9.913 ( 10.207 0.000 2.159) 10.433 10.424 ( 13.124 0.000 -3.007) 13.464 10.524 ( -16.243 0.000 3.380) 16.591 10.926 ( 0.961 0.000 -2.245) 2.442 10.980 ( -0.205 0.000 0.558) 0.594 11.914 ( -5.825 0.000 -1.481) 6.010 12.375 ( 13.751 0.000 1.735) 13.860 12.901 ( -53.592 0.000 -4.151) 53.753 13.029 ( -18.865 0.000 1.688) 18.941 14.126 ( 29.979 0.000 -6.703) 30.719 14.581 ( 5.202 0.000 -19.805) 20.477 14.948 ( -15.741 0.000 -5.873) 16.801 15.063 ( -15.965 0.000 -2.299) 16.129 15.415 ( 8.701 0.000 -2.479) 9.048 15.657 ( -3.760 0.000 -1.605) 4.088 17.411 ( 17.604 0.000 5.396) 18.412 17.939 ( -10.794 0.000 14.909) 18.406 25.059 ( 1.956 0.000 1.290) 2.343 25.125 ( -2.010 0.000 4.503) 4.931 25.349 ( 9.327 0.000 1.516) 9.449 25.697 ( 12.459 0.000 -1.690) 12.573 25.836 ( -12.629 0.000 -1.505) 12.718 26.097 ( -7.177 0.000 -1.992) 7.448 26.220 ( 0.715 0.000 -0.382) 0.810 26.251 ( -0.821 0.000 -0.568) 0.999 29.267 ( 18.022 0.000 -10.533) 20.875 29.764 ( -8.399 0.000 -2.761) 8.841 ======================= Grid point 85 (20/90) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.769 ( -7.847 0.000 2.230) 8.158 2.769 ( 7.847 0.000 2.230) 8.158 3.091 ( -37.282 0.000 -7.583) 38.045 3.091 ( 37.282 0.000 -7.583) 38.045 3.375 ( -13.508 0.000 3.651) 13.993 3.375 ( 13.508 0.000 3.651) 13.993 4.515 ( -19.641 0.000 2.936) 19.859 4.515 ( 19.641 0.000 2.936) 19.859 4.621 ( -10.923 0.000 -6.779) 12.856 4.621 ( 10.923 0.000 -6.779) 12.856 5.217 ( -13.545 0.000 1.475) 13.625 5.217 ( 13.545 0.000 1.475) 13.625 6.037 ( -10.164 0.000 5.414) 11.516 6.037 ( 10.164 0.000 5.414) 11.516 6.826 ( -7.320 0.000 1.975) 7.582 6.826 ( 7.320 0.000 1.975) 7.582 7.065 ( -21.173 0.000 -10.445) 23.609 7.065 ( 21.173 0.000 -10.445) 23.609 7.251 ( -1.996 0.000 0.422) 2.040 7.251 ( 1.996 0.000 0.422) 2.040 8.035 ( -17.051 0.000 -1.315) 17.101 8.035 ( 17.051 0.000 -1.315) 17.101 8.294 ( -11.894 0.000 -4.657) 12.773 8.294 ( 11.894 0.000 -4.657) 12.773 9.250 ( -10.127 0.000 1.383) 10.221 9.250 ( 10.127 0.000 1.383) 10.221 10.182 ( -17.020 0.000 4.068) 17.499 10.182 ( 17.020 0.000 4.068) 17.499 10.471 ( -16.045 0.000 -3.825) 16.495 10.471 ( 16.045 0.000 -3.825) 16.495 10.963 ( -1.630 0.000 -0.673) 1.763 10.963 ( 1.630 0.000 -0.673) 1.763 12.043 ( -27.191 0.000 -1.836) 27.253 12.043 ( 27.191 0.000 -1.836) 27.253 12.677 ( -17.242 0.000 1.818) 17.338 12.677 ( 17.242 0.000 1.818) 17.338 14.663 ( -23.680 0.000 -3.650) 23.960 14.663 ( 23.680 0.000 -3.650) 23.960 14.713 ( -9.761 0.000 -12.489) 15.851 14.713 ( 9.761 0.000 -12.489) 15.851 15.561 ( -6.281 0.000 -2.129) 6.632 15.561 ( 6.281 0.000 -2.129) 6.632 17.707 ( -13.413 0.000 10.842) 17.247 17.707 ( 13.413 0.000 10.842) 17.247 25.091 ( -1.581 0.000 2.998) 3.389 25.091 ( 1.581 0.000 2.998) 3.389 25.574 ( -13.328 0.000 0.478) 13.336 25.574 ( 13.328 0.000 0.478) 13.336 25.926 ( -10.501 0.000 -2.257) 10.741 25.926 ( 10.501 0.000 -2.257) 10.741 26.235 ( -0.808 0.000 -0.470) 0.934 26.235 ( 0.808 0.000 -0.470) 0.934 29.562 ( -12.769 0.000 -4.888) 13.673 29.562 ( 12.769 0.000 -4.888) 13.673 ======================= Grid point 91 (21/90) ======================= q-point: ( 0.12 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 22.167 22.167 18.181) 36.240 1.446 ( 25.252 25.252 22.786) 42.362 2.417 ( 34.591 34.591 22.128) 53.692 2.552 ( 15.012 15.012 7.238) 22.430 3.465 ( -0.618 -0.618 -2.620) 2.762 3.835 ( 9.663 9.663 -7.224) 15.457 4.228 ( 1.619 1.619 -23.169) 23.282 4.436 ( 3.137 3.137 -5.644) 7.179 4.615 ( 11.115 11.115 -7.439) 17.391 5.255 ( -12.202 -12.202 8.685) 19.318 5.305 ( -9.584 -9.584 1.342) 13.621 5.456 ( -3.514 -3.514 -3.732) 6.214 5.581 ( -6.471 -6.471 -0.984) 9.204 6.141 ( -4.786 -4.786 -13.553) 15.150 6.382 ( 12.042 12.042 12.443) 21.091 6.954 ( -11.234 -11.234 0.559) 15.898 7.067 ( -1.839 -1.839 -4.166) 4.912 7.200 ( 2.353 2.353 -0.068) 3.328 7.209 ( 1.928 1.928 2.296) 3.565 7.475 ( 3.714 3.714 -2.917) 6.007 7.560 ( 6.577 6.577 -10.461) 13.998 7.807 ( 10.010 10.010 -2.667) 14.406 8.031 ( 10.007 10.007 -7.504) 16.019 8.452 ( -1.434 -1.434 7.615) 7.880 8.606 ( 4.492 4.492 16.449) 17.633 9.004 ( 0.292 0.292 2.380) 2.416 9.713 ( -8.840 -8.840 1.859) 12.639 9.763 ( -0.711 -0.711 -3.425) 3.570 9.988 ( 6.913 6.913 -1.615) 9.908 10.635 ( 7.118 7.118 -1.803) 10.227 10.900 ( -3.256 -3.256 2.229) 5.116 11.285 ( -8.159 -8.159 -2.107) 11.730 11.697 ( -8.387 -8.387 1.372) 11.940 12.369 ( 20.528 20.528 0.051) 29.032 13.247 ( 6.427 6.427 -9.355) 13.043 13.513 ( -11.253 -11.253 -2.488) 16.108 14.341 ( 29.352 29.352 -61.831) 74.473 14.569 ( -16.991 -16.991 -1.800) 24.096 15.088 ( 3.208 3.208 -16.162) 16.787 15.392 ( 0.715 0.715 2.067) 2.301 15.601 ( -6.405 -6.405 -0.917) 9.105 15.610 ( -5.951 -5.951 -1.628) 8.572 16.574 ( 10.168 10.168 9.198) 17.069 18.249 ( -8.440 -8.440 18.862) 22.321 24.944 ( -1.389 -1.389 0.848) 2.140 25.165 ( -2.624 -2.624 5.632) 6.745 25.229 ( -1.281 -1.281 7.020) 7.250 25.332 ( 6.621 6.621 -1.406) 9.468 26.149 ( -1.318 -1.318 -7.321) 7.555 26.158 ( -5.288 -5.288 -1.488) 7.624 26.269 ( 1.810 1.810 0.722) 2.659 26.321 ( 1.130 1.130 0.434) 1.656 28.439 ( 33.290 33.290 -42.115) 63.168 29.992 ( -3.405 -3.405 0.398) 4.831 ======================= Grid point 92 (22/90) ======================= q-point: ( 0.25 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 32.257 15.792 7.179) 36.625 2.001 ( 30.696 18.778 15.673) 39.249 2.684 ( 10.123 7.983 -0.685) 12.910 3.323 ( 34.514 18.477 15.003) 41.925 3.419 ( 3.563 6.980 0.527) 7.854 4.036 ( 7.369 12.593 -3.379) 14.977 4.208 ( -8.393 8.043 -5.975) 13.070 4.351 ( -1.537 8.182 -13.959) 16.253 4.895 ( 3.672 -2.844 -9.281) 10.378 5.000 ( -11.815 -5.781 0.962) 13.189 5.105 ( -9.307 -2.925 2.709) 10.125 5.358 ( -3.186 -0.658 4.244) 5.347 5.576 ( 9.085 -6.854 -7.850) 13.825 6.155 ( 5.229 -10.815 -13.392) 17.991 6.543 ( -4.131 -3.018 6.667) 8.404 6.741 ( -0.864 6.006 9.646) 11.396 7.010 ( -4.053 -3.529 0.531) 5.400 7.226 ( 2.083 5.560 1.038) 6.027 7.325 ( 6.501 0.982 -3.595) 7.493 7.545 ( -0.216 8.630 -2.728) 9.054 7.675 ( 5.276 6.104 -11.314) 13.896 7.865 ( 4.906 14.280 -2.853) 15.366 8.436 ( -0.527 -2.364 -2.943) 3.811 8.545 ( 30.547 -12.400 -3.847) 33.191 8.677 ( 6.153 10.400 7.603) 14.277 8.989 ( 0.213 -3.702 10.597) 11.227 9.574 ( -3.707 -1.350 -0.226) 3.952 9.771 ( 2.313 -2.194 -2.053) 3.792 10.185 ( 12.092 4.870 -2.049) 13.196 10.762 ( 2.167 7.401 -0.414) 7.723 10.864 ( -1.304 -7.475 2.321) 7.935 11.043 ( -12.087 -2.180 -0.893) 12.315 11.653 ( 2.194 -17.666 0.634) 17.813 12.644 ( 6.298 31.650 -0.493) 32.274 13.245 ( -15.770 -11.659 0.319) 19.614 13.533 ( 23.624 -3.202 -8.234) 25.222 13.988 ( -40.755 1.945 -2.716) 40.892 14.637 ( 5.830 11.718 -33.047) 35.545 15.098 ( -2.191 -4.819 -5.391) 7.555 15.301 ( -17.116 1.154 -2.625) 17.355 15.405 ( 0.020 5.125 -4.232) 6.647 15.594 ( -1.014 -11.138 -1.842) 11.335 16.937 ( 22.743 -4.484 5.750) 23.884 18.084 ( -8.740 -4.723 17.463) 20.091 24.973 ( 4.189 -3.164 0.217) 5.255 25.135 ( -0.726 -1.665 4.807) 5.138 25.224 ( 0.693 0.059 4.448) 4.502 25.508 ( 11.004 5.277 -1.503) 12.296 26.003 ( -9.757 -4.433 -2.261) 10.953 26.134 ( -1.531 -3.174 -5.251) 6.324 26.274 ( -0.725 3.026 0.504) 3.152 26.310 ( -2.040 1.414 1.428) 2.863 28.983 ( 22.966 13.530 -20.906) 33.876 29.921 ( -4.014 1.857 -2.487) 5.074 ======================= Grid point 93 (23/90) ======================= q-point: ( 0.38 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 33.665 8.363 -0.300) 34.690 2.572 ( 26.540 14.274 9.154) 31.495 2.871 ( 8.830 11.531 -1.168) 14.570 3.320 ( -3.646 3.347 -0.181) 4.953 3.817 ( -9.611 8.210 -6.376) 14.157 3.916 ( -16.408 15.108 2.893) 22.492 4.129 ( 15.637 16.703 6.889) 23.895 4.414 ( 5.627 -1.395 -11.516) 12.893 4.769 ( -9.922 -2.812 -1.579) 10.433 4.788 ( -11.228 -6.832 1.379) 13.215 5.051 ( 6.348 4.334 -0.508) 7.703 5.392 ( 0.245 0.729 0.130) 0.780 5.820 ( 12.641 -1.791 -3.346) 13.198 6.211 ( -8.314 -7.739 -1.507) 11.458 6.402 ( 6.491 -12.494 1.788) 14.192 6.845 ( -3.141 -2.076 -0.988) 3.893 6.957 ( 7.007 7.010 3.467) 10.501 7.273 ( 2.558 5.904 0.567) 6.460 7.342 ( -4.148 4.198 -3.792) 7.015 7.516 ( -6.415 12.576 -8.030) 16.242 7.766 ( 9.652 2.334 1.991) 10.128 8.070 ( 12.850 4.583 -6.929) 15.301 8.337 ( -10.422 -1.264 -7.895) 13.136 8.532 ( -8.061 5.575 3.014) 10.254 9.069 ( 11.032 2.972 7.894) 13.887 9.299 ( 16.219 -6.693 -2.570) 17.733 9.662 ( 23.732 -7.710 -0.588) 24.959 9.883 ( 9.798 -3.386 1.217) 10.438 10.376 ( 3.292 -4.019 -2.869) 5.934 10.556 ( -16.708 -0.025 3.279) 17.026 10.849 ( 1.502 -10.126 0.830) 10.271 11.001 ( 1.056 2.790 -0.737) 3.073 11.769 ( 11.334 -6.312 -0.084) 12.973 12.685 ( 1.001 25.302 -0.294) 25.324 12.898 ( -25.101 -5.251 -0.256) 25.646 13.127 ( -38.034 12.711 -1.583) 40.133 14.091 ( 29.715 -3.937 -5.785) 30.528 14.692 ( 1.763 6.848 -21.390) 22.529 14.975 ( -11.575 -5.223 1.351) 12.771 14.987 ( -13.871 3.560 -6.146) 15.584 15.434 ( 2.956 1.213 -5.791) 6.614 15.562 ( -2.370 -9.109 -2.754) 9.807 17.344 ( 18.748 -5.732 7.572) 21.016 17.899 ( -10.764 -3.903 14.800) 18.712 25.063 ( 3.698 0.144 1.182) 3.885 25.126 ( -0.581 0.249 4.090) 4.139 25.288 ( 7.297 -4.023 2.470) 8.691 25.722 ( 6.489 0.934 -1.114) 6.650 25.787 ( -8.322 -2.568 -1.535) 8.843 26.077 ( -4.783 -0.973 -3.933) 6.269 26.256 ( -0.909 1.196 0.342) 1.541 26.265 ( -1.943 0.041 1.043) 2.206 29.361 ( 16.792 9.247 -9.363) 21.334 29.820 ( -7.005 5.367 -3.978) 9.679 ======================= Grid point 94 (24/90) ======================= q-point: (-0.50 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -4.197 7.259 1.503) 8.519 2.856 ( 4.197 7.259 1.503) 8.519 3.138 ( -21.214 6.907 -3.996) 22.665 3.138 ( 21.214 6.907 -3.996) 22.665 3.616 ( -6.917 19.578 1.723) 20.835 3.616 ( 6.917 19.578 1.723) 20.835 4.457 ( -10.590 -3.267 0.182) 11.084 4.457 ( 10.590 -3.267 0.182) 11.084 4.615 ( -3.879 -2.412 -3.199) 5.577 4.615 ( 3.879 -2.412 -3.199) 5.577 5.271 ( -11.886 5.587 1.268) 13.194 5.271 ( 11.886 5.587 1.268) 13.194 6.016 ( -9.012 -1.616 2.282) 9.436 6.016 ( 9.012 -1.616 2.282) 9.436 6.648 ( -13.546 -13.627 -2.054) 19.324 6.648 ( 13.546 -13.627 -2.054) 19.324 7.202 ( -12.614 8.350 -2.095) 15.272 7.202 ( 12.614 8.350 -2.095) 15.272 7.341 ( -6.080 9.484 -2.793) 11.607 7.341 ( 6.080 9.484 -2.793) 11.607 8.028 ( -14.923 0.077 -0.734) 14.941 8.028 ( 14.923 0.077 -0.734) 14.941 8.352 ( -10.919 5.774 -4.680) 13.208 8.352 ( 10.919 5.774 -4.680) 13.208 9.275 ( -8.866 2.511 0.830) 9.252 9.275 ( 8.866 2.511 0.830) 9.252 10.126 ( -12.093 -5.836 2.597) 13.677 10.126 ( 12.093 -5.836 2.597) 13.677 10.286 ( -17.898 -14.163 -0.867) 22.840 10.286 ( 17.898 -14.163 -0.867) 22.840 10.944 ( -6.443 -4.252 -0.212) 7.722 10.944 ( 6.443 -4.252 -0.212) 7.722 12.188 ( -33.608 10.947 -1.343) 35.371 12.188 ( 33.608 10.947 -1.343) 35.371 12.771 ( -8.802 11.064 0.788) 14.160 12.771 ( 8.802 11.064 0.788) 14.160 14.604 ( -20.935 -6.995 -6.815) 23.101 14.604 ( 20.935 -6.995 -6.815) 23.101 14.797 ( -4.433 8.778 -8.104) 12.743 14.797 ( 4.433 8.778 -8.104) 12.743 15.503 ( -3.637 -5.339 -4.084) 7.643 15.503 ( 3.637 -5.339 -4.084) 7.643 17.660 ( -14.166 -4.469 11.463) 18.763 17.660 ( 14.166 -4.469 11.463) 18.763 25.107 ( -1.397 1.641 2.981) 3.679 25.107 ( 1.397 1.641 2.981) 3.679 25.502 ( -13.549 -6.036 0.780) 14.853 25.502 ( 13.549 -6.036 0.780) 14.853 25.942 ( -9.060 1.822 -2.762) 9.646 25.942 ( 9.060 1.822 -2.762) 9.646 26.246 ( -0.079 -0.413 0.423) 0.597 26.246 ( 0.079 -0.413 0.423) 0.597 29.638 ( -11.894 7.539 -5.232) 15.022 29.638 ( 11.894 7.539 -5.232) 15.022 ======================= Grid point 101 (25/90) ======================= q-point: ( 0.25 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 24.072 24.072 4.120) 34.291 2.411 ( 22.882 22.882 13.852) 35.200 2.901 ( 13.751 13.751 -1.893) 19.539 3.440 ( -1.129 -1.129 -2.274) 2.779 3.719 ( 16.013 16.013 5.392) 23.279 4.215 ( -3.676 -3.676 -8.070) 9.600 4.439 ( 20.336 20.336 2.632) 28.879 4.521 ( 4.372 4.372 -1.278) 6.314 4.767 ( -7.857 -7.857 2.229) 11.333 4.869 ( -9.386 -9.386 0.181) 13.275 5.145 ( 4.302 4.302 -11.203) 12.748 5.280 ( -6.828 -6.828 -4.845) 10.804 5.506 ( 6.772 6.772 -1.090) 9.639 6.042 ( -0.877 -0.877 -11.665) 11.731 6.394 ( -9.687 -9.687 8.489) 16.117 6.898 ( -8.079 -8.079 1.399) 11.511 6.925 ( 10.646 10.646 7.816) 16.964 7.336 ( 3.734 3.734 -1.757) 5.565 7.398 ( 7.443 7.443 -4.717) 11.535 7.730 ( 3.014 3.014 -1.964) 4.693 7.740 ( 6.758 6.758 -7.226) 11.982 8.272 ( 3.637 3.637 -5.295) 7.382 8.332 ( 12.228 12.228 -2.268) 17.441 8.419 ( 2.438 2.438 -9.546) 10.150 8.906 ( -1.744 -1.744 12.294) 12.539 8.910 ( 12.097 12.097 8.395) 19.057 9.560 ( 0.097 0.097 -1.636) 1.641 9.729 ( -1.049 -1.049 -2.455) 2.869 10.310 ( 6.553 6.553 -1.053) 9.327 10.685 ( -7.175 -7.175 1.669) 10.283 10.891 ( -2.827 -2.827 1.236) 4.184 10.892 ( -11.783 -11.783 2.792) 16.897 11.528 ( 7.834 7.834 -0.748) 11.105 13.007 ( -12.061 -12.061 0.148) 17.058 13.252 ( 22.866 22.866 0.298) 32.339 13.470 ( 3.626 3.626 -8.146) 9.626 13.856 ( -17.719 -17.719 -0.471) 25.063 14.658 ( -4.647 -4.647 -8.402) 10.666 15.100 ( -0.029 -0.029 -25.242) 25.242 15.315 ( -6.114 -6.114 -1.438) 8.765 15.336 ( -7.199 -7.199 -6.515) 12.087 15.474 ( 1.835 1.835 -3.255) 4.163 16.980 ( 10.020 10.020 10.873) 17.861 17.967 ( -7.330 -7.330 16.113) 19.160 24.958 ( 2.794 2.794 0.931) 4.060 25.129 ( 0.545 0.545 3.417) 3.503 25.230 ( 0.388 0.388 4.634) 4.666 25.646 ( 8.209 8.209 -1.534) 11.711 25.880 ( -7.789 -7.789 -1.030) 11.064 26.091 ( -1.865 -1.865 -6.395) 6.918 26.279 ( -2.184 -2.184 0.858) 3.206 26.292 ( -2.930 -2.930 3.040) 5.139 29.286 ( 16.533 16.533 -12.262) 26.401 29.957 ( 1.246 1.246 -5.119) 5.414 ======================= Grid point 102 (26/90) ======================= q-point: ( 0.38 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 23.772 13.861 0.939) 27.534 2.856 ( 21.231 14.639 9.826) 27.597 3.183 ( 14.370 19.720 -3.281) 24.620 3.371 ( -5.028 1.703 -0.461) 5.328 3.943 ( 5.356 5.256 -1.401) 7.634 4.065 ( -11.500 -2.874 2.830) 12.186 4.439 ( -1.676 5.477 -5.407) 7.877 4.575 ( -11.558 12.858 -2.716) 17.501 4.624 ( -8.372 -1.149 2.404) 8.786 4.671 ( -9.067 -6.311 -0.527) 11.060 5.212 ( 12.160 11.944 1.939) 17.155 5.397 ( 7.566 -2.343 -6.635) 10.332 5.761 ( 16.201 -3.125 -4.730) 17.164 6.060 ( 0.899 -4.295 -9.813) 10.750 6.237 ( -4.149 -5.237 10.140) 12.143 6.677 ( -14.610 -12.571 0.557) 19.282 7.141 ( 11.589 9.300 3.374) 15.237 7.396 ( 2.594 4.953 -3.633) 6.668 7.478 ( -0.924 9.245 -3.012) 9.767 7.741 ( -8.300 5.308 -5.202) 11.141 7.834 ( 11.194 7.095 1.706) 13.362 8.261 ( 1.400 16.418 -5.063) 17.238 8.353 ( 0.356 4.151 -8.475) 9.444 8.655 ( -1.767 7.358 0.228) 7.571 9.105 ( 19.696 -3.044 1.755) 20.007 9.216 ( 20.163 5.212 5.590) 21.563 9.591 ( 5.940 -0.887 -0.907) 6.074 9.781 ( 7.697 -6.405 -0.461) 10.024 10.308 ( -10.741 -2.433 -0.715) 11.036 10.488 ( -19.604 -5.999 3.318) 20.768 10.653 ( 1.641 -10.733 3.419) 11.383 10.851 ( -4.157 -17.860 2.224) 18.472 11.857 ( 23.584 14.274 -1.331) 27.600 12.791 ( -11.785 -3.666 -0.373) 12.347 13.206 ( -10.163 24.990 -2.169) 27.065 13.343 ( -27.948 6.699 -0.554) 28.745 13.966 ( 28.020 -8.611 -2.808) 29.448 14.575 ( -5.059 -14.889 -4.492) 16.354 15.045 ( -4.127 6.887 -17.917) 19.634 15.084 ( -9.177 5.739 -7.718) 13.293 15.358 ( 2.074 -9.851 -5.216) 11.338 15.469 ( -2.354 3.020 -4.096) 5.607 17.257 ( 16.369 -1.711 11.167) 19.890 17.796 ( -10.521 -6.562 14.460) 19.049 25.072 ( 7.544 1.981 1.002) 7.864 25.146 ( 1.071 1.873 3.316) 3.956 25.246 ( 2.367 -0.574 3.847) 4.554 25.651 ( -11.413 -5.229 -0.225) 12.556 25.849 ( 7.662 5.984 -2.309) 9.992 26.055 ( -2.022 -2.356 -4.796) 5.714 26.211 ( -3.773 -4.690 2.213) 6.413 26.228 ( -3.307 -4.306 1.923) 5.760 29.591 ( 14.461 13.493 -7.268) 21.072 29.944 ( -3.138 6.572 -5.719) 9.260 ======================= Grid point 103 (27/90) ======================= q-point: (-0.50 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( -10.233 8.072 0.840) 13.061 3.006 ( 10.233 8.072 0.840) 13.061 3.346 ( -1.182 12.732 0.942) 12.821 3.346 ( 1.182 12.732 0.942) 12.821 3.913 ( -3.436 8.077 0.600) 8.798 3.913 ( 3.436 8.077 0.600) 8.798 4.472 ( -5.090 3.121 -2.530) 6.485 4.472 ( 5.090 3.121 -2.530) 6.485 4.514 ( -5.259 -5.184 -0.198) 7.387 4.514 ( 5.259 -5.184 -0.198) 7.387 5.415 ( -5.950 7.991 -0.722) 9.989 5.415 ( 5.950 7.991 -0.722) 9.989 5.995 ( -7.135 -0.652 -5.109) 8.800 5.995 ( 7.135 -0.652 -5.109) 8.800 6.367 ( -15.410 -14.115 2.506) 21.047 6.367 ( 15.410 -14.115 2.506) 21.047 7.346 ( -8.029 6.780 -0.950) 10.552 7.346 ( 8.029 6.780 -0.950) 10.552 7.539 ( -8.914 7.852 -2.182) 12.078 7.539 ( 8.914 7.852 -2.182) 12.078 8.094 ( -13.192 8.269 -2.086) 15.708 8.094 ( 13.192 8.269 -2.086) 15.708 8.522 ( -10.062 12.575 -4.216) 16.648 8.522 ( 10.062 12.575 -4.216) 16.648 9.341 ( -6.310 4.052 -0.600) 7.522 9.341 ( 6.310 4.052 -0.600) 7.522 9.961 ( -22.492 -9.110 0.571) 24.274 9.961 ( 22.492 -9.110 0.571) 24.274 10.069 ( -22.310 -8.197 3.697) 24.054 10.069 ( 22.310 -8.197 3.697) 24.054 10.751 ( -5.891 -15.960 2.413) 17.182 10.751 ( 5.891 -15.960 2.413) 17.182 12.386 ( -29.072 10.740 -1.381) 31.023 12.386 ( 29.072 10.740 -1.381) 31.023 13.068 ( -1.723 15.926 -0.324) 16.022 13.068 ( 1.723 15.926 -0.324) 16.022 14.394 ( -15.309 -14.216 -3.099) 21.120 14.394 ( 15.309 -14.216 -3.099) 21.120 14.994 ( -0.202 9.425 -11.777) 15.085 14.994 ( 0.202 9.425 -11.777) 15.085 15.408 ( -3.199 -2.339 -5.465) 6.751 15.408 ( 3.199 -2.339 -5.465) 6.751 17.558 ( -14.195 -5.488 12.611) 19.765 17.558 ( 14.195 -5.488 12.611) 19.765 25.154 ( -0.973 3.261 3.007) 4.541 25.154 ( 0.973 3.261 3.007) 4.541 25.399 ( -12.717 -3.778 1.006) 13.304 25.399 ( 12.717 -3.778 1.006) 13.304 25.988 ( -5.556 2.132 -3.336) 6.823 25.988 ( 5.556 2.132 -3.336) 6.823 26.179 ( -0.968 -6.185 1.997) 6.571 26.179 ( 0.968 -6.185 1.997) 6.571 29.824 ( -9.348 10.671 -5.751) 15.308 29.824 ( 9.348 10.671 -5.751) 15.308 ======================= Grid point 111 (28/90) ======================= q-point: ( 0.38 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.923 ( 14.190 14.190 1.245) 20.107 3.131 ( 12.184 12.184 7.784) 18.907 3.385 ( 1.025 1.025 2.316) 2.733 3.582 ( 19.330 19.330 -4.880) 27.769 3.898 ( -11.019 -11.019 7.596) 17.336 4.038 ( 4.075 4.075 -1.693) 6.007 4.397 ( -9.801 -9.801 2.650) 14.112 4.442 ( -6.928 -6.928 -1.089) 9.858 4.561 ( -0.463 -0.463 -4.230) 4.281 4.847 ( -3.452 -3.452 -7.161) 8.667 5.343 ( 4.896 4.896 -13.027) 14.752 5.443 ( 9.302 9.302 1.025) 13.195 5.803 ( 6.490 6.490 -1.126) 9.247 6.041 ( -0.045 -0.045 -10.239) 10.239 6.173 ( -1.695 -1.695 9.747) 10.038 6.394 ( -15.450 -15.450 4.839) 22.379 7.308 ( 8.149 8.149 0.216) 11.527 7.466 ( 2.504 2.504 -5.167) 6.264 7.584 ( 0.973 0.973 1.980) 2.412 7.704 ( -5.655 -5.655 -0.885) 8.046 8.064 ( 14.137 14.137 -3.140) 20.238 8.368 ( 0.086 0.086 -8.778) 8.779 8.693 ( 16.329 16.329 -10.221) 25.254 8.827 ( 9.144 9.144 -1.547) 13.024 9.162 ( 13.215 13.215 4.254) 19.167 9.401 ( 11.676 11.676 7.421) 18.103 9.590 ( 1.421 1.421 -1.891) 2.760 9.696 ( 0.152 0.152 -0.585) 0.623 10.256 ( -8.939 -8.939 2.226) 12.836 10.334 ( -10.795 -10.795 1.185) 15.312 10.419 ( -14.179 -14.179 8.803) 21.899 10.442 ( -15.490 -15.490 2.258) 22.022 12.219 ( 21.722 21.722 -1.600) 30.761 12.783 ( 1.517 1.517 -1.141) 2.430 13.284 ( -9.370 -9.370 -0.426) 13.258 13.469 ( -6.162 -6.162 -2.176) 8.982 13.909 ( 8.922 8.922 0.363) 12.622 14.309 ( -10.825 -10.825 -0.982) 15.340 15.091 ( -0.545 -0.545 -22.579) 22.592 15.128 ( -3.073 -3.073 -15.950) 16.532 15.311 ( 6.745 6.745 -1.370) 9.637 15.526 ( 0.851 0.851 -1.208) 1.705 17.304 ( 6.268 6.268 12.754) 15.531 17.648 ( -8.745 -8.745 13.967) 18.655 25.168 ( 7.561 7.561 0.554) 10.707 25.189 ( 2.293 2.293 3.419) 4.713 25.246 ( 0.377 0.377 4.264) 4.297 25.543 ( -6.717 -6.717 -0.382) 9.506 25.960 ( 4.009 4.009 -2.963) 6.397 25.969 ( -4.759 -4.759 -1.473) 6.890 26.099 ( -5.394 -5.394 2.194) 7.937 26.157 ( -2.549 -2.549 0.949) 3.728 29.842 ( 11.558 11.558 -6.096) 17.446 30.036 ( 2.146 2.146 -6.154) 6.862 ======================= Grid point 112 (29/90) ======================= q-point: (-0.50 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.155 ( -8.474 6.614 1.049) 10.800 3.155 ( 8.474 6.614 1.049) 10.800 3.557 ( -14.667 7.711 8.024) 18.411 3.557 ( 14.667 7.711 8.024) 18.411 3.993 ( -12.168 3.504 -1.701) 12.776 3.993 ( 12.168 3.504 -1.701) 12.776 4.308 ( -3.499 -10.949 0.046) 11.495 4.308 ( 3.499 -10.949 0.046) 11.495 4.649 ( -9.623 8.961 -6.145) 14.514 4.649 ( 9.623 8.961 -6.145) 14.514 5.497 ( -4.563 -0.999 -7.344) 8.704 5.497 ( 4.563 -0.999 -7.344) 8.704 5.963 ( -8.850 -2.616 -8.393) 12.474 5.963 ( 8.850 -2.616 -8.393) 12.474 6.183 ( -4.181 -3.653 11.434) 12.711 6.183 ( 4.181 -3.653 11.434) 12.711 7.449 ( -5.442 3.599 -4.566) 7.963 7.449 ( 5.442 3.599 -4.566) 7.963 7.601 ( -3.231 -0.002 3.375) 4.672 7.601 ( 3.231 -0.002 3.375) 4.672 8.293 ( -8.195 8.705 -7.068) 13.889 8.293 ( 8.195 8.705 -7.068) 13.889 8.873 ( -4.279 22.319 -6.008) 23.506 8.873 ( 4.279 22.319 -6.008) 23.506 9.435 ( -8.937 6.991 0.281) 11.350 9.435 ( 8.937 6.991 0.281) 11.350 9.855 ( -22.683 -1.630 3.647) 23.033 9.855 ( 22.683 -1.630 3.647) 23.033 9.928 ( -22.335 -6.758 4.338) 23.735 9.928 ( 22.335 -6.758 4.338) 23.735 10.346 ( -2.263 -24.875 4.132) 25.317 10.346 ( 2.263 -24.875 4.132) 25.317 12.642 ( -19.071 15.789 -1.459) 24.802 12.642 ( 19.071 15.789 -1.459) 24.802 13.240 ( -9.648 -0.859 -0.301) 9.691 13.240 ( 9.648 -0.859 -0.301) 9.691 14.127 ( -9.942 -10.540 -0.475) 14.497 14.127 ( 9.942 -10.540 -0.475) 14.497 15.084 ( -0.679 0.441 -19.727) 19.744 15.084 ( 0.679 0.441 -19.727) 19.744 15.465 ( -6.847 6.395 -1.253) 9.452 15.465 ( 6.847 6.395 -1.253) 9.452 17.467 ( -9.629 -3.594 13.370) 16.863 17.467 ( 9.629 -3.594 13.370) 16.863 25.224 ( -1.109 3.228 3.640) 4.990 25.224 ( 1.109 3.228 3.640) 4.990 25.370 ( -10.561 0.929 0.356) 10.608 25.370 ( 10.561 0.929 0.356) 10.608 25.943 ( -2.386 -7.712 -0.786) 8.111 25.943 ( 2.386 -7.712 -0.786) 8.111 26.103 ( -3.279 0.257 0.319) 3.304 26.103 ( 3.279 0.257 0.319) 3.304 30.008 ( -5.206 7.398 -5.941) 10.823 30.008 ( 5.206 7.398 -5.941) 10.823 ======================= Grid point 125 (30/90) ======================= q-point: (-0.50 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.226 ( 0.000 0.000 1.153) 1.153 3.226 ( 0.000 0.000 1.153) 1.153 3.628 ( -0.000 -0.000 11.979) 11.979 3.628 ( -0.000 -0.000 11.979) 11.979 4.108 ( -0.000 -0.000 -3.498) 3.498 4.108 ( 0.000 0.000 -3.498) 3.498 4.113 ( 0.000 0.000 0.345) 0.345 4.113 ( 0.000 0.000 0.345) 0.345 4.758 ( 0.000 0.000 -9.091) 9.091 4.758 ( 0.000 0.000 -9.091) 9.091 5.448 ( -0.000 -0.000 -10.668) 10.668 5.448 ( -0.000 -0.000 -10.668) 10.668 5.938 ( -0.000 -0.000 -2.896) 2.896 5.938 ( 0.000 0.000 -2.896) 2.896 6.164 ( -0.000 -0.000 10.067) 10.067 6.164 ( 0.000 0.000 10.067) 10.067 7.483 ( -0.000 -0.000 -8.132) 8.132 7.483 ( 0.000 0.000 -8.132) 8.132 7.595 ( 0.000 0.000 7.357) 7.357 7.595 ( 0.000 0.000 7.357) 7.357 8.377 ( 0.000 0.000 -8.267) 8.267 8.377 ( 0.000 0.000 -8.267) 8.267 9.136 ( -0.000 -0.000 -14.341) 14.341 9.136 ( 0.000 0.000 -14.341) 14.341 9.693 ( -0.000 -0.000 8.879) 8.879 9.693 ( -0.000 -0.000 8.879) 8.879 9.739 ( -0.000 -0.000 7.548) 7.548 9.739 ( 0.000 0.000 7.548) 7.548 9.914 ( -0.000 -0.000 0.192) 0.192 9.914 ( 0.000 0.000 0.192) 0.192 9.938 ( -0.000 -0.000 5.051) 5.051 9.938 ( 0.000 0.000 5.051) 5.051 12.905 ( 0.000 0.000 -2.013) 2.013 12.905 ( 0.000 0.000 -2.013) 2.013 13.105 ( -0.000 -0.000 0.790) 0.790 13.105 ( 0.000 0.000 0.790) 0.790 14.035 ( 0.000 0.000 -0.177) 0.177 14.035 ( 0.000 0.000 -0.177) 0.177 15.079 ( 0.000 0.000 -21.312) 21.312 15.079 ( 0.000 0.000 -21.312) 21.312 15.542 ( 0.000 0.000 -0.650) 0.650 15.542 ( -0.000 -0.000 -0.650) 0.650 17.430 ( 0.000 0.000 13.610) 13.610 17.430 ( 0.000 0.000 13.610) 13.610 25.254 ( 0.000 0.000 4.109) 4.109 25.254 ( 0.000 0.000 4.109) 4.109 25.401 ( 0.000 0.000 -0.278) 0.278 25.401 ( 0.000 0.000 -0.278) 0.278 25.836 ( 0.000 0.000 0.839) 0.839 25.836 ( 0.000 0.000 0.839) 0.839 26.115 ( 0.000 0.000 -0.873) 0.873 26.115 ( 0.000 0.000 -0.873) 0.873 30.083 ( 0.000 0.000 -5.951) 5.951 30.083 ( 0.000 0.000 -5.951) 5.951 ======================= Grid point 162 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.000 0.000 37.172) 37.172 1.557 ( 0.000 0.000 37.172) 37.172 2.350 ( 0.000 0.000 56.504) 56.504 2.395 ( -0.000 -0.000 -0.095) 0.095 3.441 ( 0.000 0.000 -3.284) 3.284 3.441 ( 0.000 0.000 -3.284) 3.284 3.531 ( 0.000 0.000 -34.359) 34.359 4.183 ( 0.000 0.000 -10.899) 10.899 4.183 ( 0.000 0.000 -10.899) 10.899 5.143 ( -0.000 -0.000 -20.054) 20.054 5.395 ( 0.000 0.000 -25.155) 25.155 5.705 ( 0.000 0.000 -2.171) 2.171 5.705 ( -0.000 -0.000 -2.171) 2.171 6.524 ( 0.000 0.000 26.811) 26.811 6.646 ( -0.000 -0.000 1.624) 1.624 6.936 ( 0.000 0.000 -6.736) 6.736 6.936 ( 0.000 -0.000 -6.736) 6.736 7.009 ( 0.000 0.000 -10.494) 10.494 7.009 ( -0.000 -0.000 -10.494) 10.494 7.431 ( 0.000 0.000 7.218) 7.218 7.533 ( 0.000 0.000 -3.165) 3.165 7.533 ( 0.000 0.000 -3.165) 3.165 7.851 ( 0.000 0.000 11.897) 11.897 8.785 ( -0.000 -0.000 -9.868) 9.868 8.899 ( -0.000 -0.000 18.098) 18.098 8.899 ( 0.000 0.000 18.098) 18.098 9.685 ( 0.000 0.000 -5.687) 5.687 9.685 ( 0.000 0.000 -5.687) 5.687 10.396 ( -0.000 -0.000 -23.353) 23.353 10.422 ( 0.000 0.000 -5.135) 5.135 11.018 ( 0.000 0.000 3.744) 3.744 11.018 ( 0.000 0.000 3.744) 3.744 11.397 ( -0.000 -0.000 -5.952) 5.952 11.937 ( 0.000 0.000 2.863) 2.863 11.937 ( -0.000 -0.000 2.863) 2.863 12.858 ( 0.000 0.000 -13.542) 13.542 13.842 ( -0.000 -0.000 1.501) 1.501 14.891 ( 0.000 -0.000 -3.939) 3.939 14.891 ( 0.000 0.000 -3.939) 3.939 15.515 ( -0.000 -0.000 6.484) 6.484 15.721 ( 0.000 0.000 -0.910) 0.910 15.721 ( 0.000 0.000 -0.910) 0.910 16.545 ( 0.000 0.000 12.338) 12.338 18.636 ( 0.000 0.000 3.725) 3.725 25.006 ( 0.000 0.000 1.106) 1.106 25.161 ( 0.000 0.000 -2.125) 2.125 25.282 ( 0.000 0.000 4.002) 4.002 25.712 ( 0.000 0.000 -5.071) 5.071 26.189 ( 0.000 0.000 -0.520) 0.520 26.189 ( 0.000 0.000 -0.520) 0.520 26.262 ( 0.000 0.000 -1.095) 1.095 26.262 ( 0.000 0.000 -1.095) 1.095 26.518 ( 0.000 0.000 9.021) 9.021 30.112 ( -0.000 -0.000 -0.928) 0.928 ======================= Grid point 163 (32/90) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 10.710 0.000 38.060) 39.538 1.746 ( 18.127 0.000 32.056) 36.826 2.459 ( 6.279 0.000 0.134) 6.280 2.775 ( 38.738 0.000 41.998) 57.135 3.350 ( -4.828 0.000 -9.532) 10.685 3.605 ( 13.631 0.000 -5.821) 14.821 3.669 ( 9.799 0.000 -24.384) 26.279 4.137 ( -4.729 0.000 -9.218) 10.360 4.399 ( 17.847 0.000 -12.118) 21.572 5.094 ( -4.986 0.000 -17.243) 17.949 5.314 ( -3.870 0.000 -19.857) 20.230 5.541 ( -14.815 0.000 0.508) 14.823 5.737 ( -0.248 0.000 1.097) 1.125 6.153 ( -26.874 0.000 1.468) 26.914 6.581 ( 3.952 0.000 15.711) 16.200 6.938 ( -1.202 0.000 -4.092) 4.265 6.953 ( 0.383 0.000 -5.609) 5.622 7.067 ( 6.837 0.000 -5.843) 8.993 7.137 ( 7.860 0.000 -7.643) 10.963 7.412 ( -1.971 0.000 4.220) 4.657 7.552 ( 2.441 0.000 -0.676) 2.533 7.636 ( 3.337 0.000 7.040) 7.791 7.928 ( 16.178 0.000 -0.117) 16.179 8.588 ( -11.030 0.000 -4.776) 12.020 8.856 ( -4.432 0.000 15.520) 16.140 9.106 ( 11.392 0.000 11.064) 15.881 9.693 ( 1.433 0.000 -4.608) 4.826 9.729 ( -0.982 0.000 -6.093) 6.172 9.952 ( -10.698 0.000 -3.889) 11.383 10.496 ( 6.933 0.000 -4.002) 8.005 11.017 ( -0.110 0.000 3.472) 3.474 11.274 ( -11.419 0.000 -4.621) 12.318 11.961 ( 8.627 0.000 -1.404) 8.740 12.017 ( 7.155 0.000 2.452) 7.564 12.403 ( 72.801 0.000 -43.688) 84.903 12.973 ( 13.043 0.000 -12.992) 18.410 13.716 ( -11.986 0.000 1.718) 12.109 14.627 ( -26.182 0.000 -3.686) 26.441 14.980 ( 8.135 0.000 -3.991) 9.061 15.482 ( -3.945 0.000 5.965) 7.151 15.580 ( -13.913 0.000 -1.716) 14.018 15.712 ( -1.000 0.000 -1.206) 1.566 16.705 ( 16.475 0.000 11.579) 20.137 18.573 ( -5.870 0.000 7.485) 9.512 24.989 ( -0.752 0.000 1.171) 1.392 25.229 ( 6.532 0.000 -2.139) 6.874 25.278 ( 0.034 0.000 3.594) 3.595 25.482 ( -12.298 0.000 6.926) 14.114 26.037 ( -4.610 0.000 -3.964) 6.080 26.192 ( 0.257 0.000 -0.543) 0.601 26.236 ( -1.140 0.000 -1.794) 2.125 26.258 ( -0.346 0.000 -1.055) 1.110 27.401 ( 57.552 0.000 -13.095) 59.023 30.039 ( -6.731 0.000 -0.387) 6.743 ======================= Grid point 164 (33/90) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 20.091 0.000 27.506) 34.062 2.177 ( 24.388 0.000 22.238) 33.005 2.613 ( 8.897 0.000 0.729) 8.927 3.286 ( -1.773 0.000 -4.402) 4.746 3.546 ( 30.893 0.000 14.657) 34.193 3.835 ( 9.585 0.000 2.292) 9.855 3.882 ( 12.333 0.000 -19.913) 23.423 3.999 ( -9.620 0.000 -4.456) 10.602 4.630 ( 5.479 0.000 -13.007) 14.114 5.033 ( -1.621 0.000 -8.764) 8.913 5.205 ( -18.893 0.000 1.020) 18.921 5.385 ( 8.796 0.000 -6.749) 11.087 5.541 ( -7.383 0.000 -1.839) 7.609 6.048 ( 7.811 0.000 -9.677) 12.436 6.638 ( 2.059 0.000 1.499) 2.547 6.845 ( -8.925 0.000 3.989) 9.776 6.931 ( -2.751 0.000 -9.412) 9.805 7.228 ( 7.513 0.000 4.313) 8.663 7.286 ( 6.600 0.000 -4.133) 7.787 7.371 ( -1.495 0.000 5.428) 5.631 7.626 ( -0.021 0.000 6.024) 6.024 7.649 ( 8.337 0.000 -2.217) 8.626 8.366 ( -6.762 0.000 -8.688) 11.009 8.569 ( 39.758 0.000 -7.550) 40.469 8.726 ( -9.147 0.000 8.314) 12.360 9.250 ( 2.099 0.000 11.881) 12.065 9.562 ( -6.693 0.000 -3.923) 7.758 9.769 ( 6.944 0.000 -0.781) 6.987 10.071 ( 13.702 0.000 -4.305) 14.362 10.647 ( 7.127 0.000 -1.186) 7.225 10.997 ( -9.901 0.000 -0.932) 9.945 11.022 ( -5.468 0.000 0.396) 5.482 11.989 ( -3.792 0.000 -2.146) 4.357 12.188 ( 10.481 0.000 2.664) 10.814 13.336 ( 17.653 0.000 -39.428) 43.199 13.363 ( 21.207 0.000 -14.206) 25.525 13.425 ( -17.276 0.000 2.289) 17.427 14.039 ( -22.148 0.000 -6.375) 23.048 15.163 ( 10.070 0.000 -4.091) 10.870 15.228 ( -21.082 0.000 -3.666) 21.398 15.345 ( -10.567 0.000 4.153) 11.353 15.679 ( -2.475 0.000 -1.950) 3.151 17.126 ( 24.631 0.000 9.637) 26.449 18.430 ( -8.866 0.000 11.935) 14.867 25.016 ( 3.611 0.000 1.073) 3.767 25.265 ( -0.978 0.000 2.444) 2.632 25.335 ( -2.447 0.000 6.786) 7.213 25.421 ( 11.038 0.000 -1.926) 11.204 25.952 ( -5.267 0.000 -3.892) 6.549 26.180 ( -4.970 0.000 -1.725) 5.261 26.199 ( 0.472 0.000 -0.601) 0.765 26.249 ( -0.592 0.000 -0.957) 1.126 28.383 ( 42.134 0.000 -17.722) 45.710 29.887 ( -8.520 0.000 -0.853) 8.562 ======================= Grid point 165 (34/90) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 27.378 0.000 12.262) 29.999 2.609 ( 18.098 0.000 10.424) 20.885 2.775 ( 7.010 0.000 2.450) 7.425 3.294 ( 3.689 0.000 2.032) 4.211 3.512 ( -21.929 0.000 -8.824) 23.637 3.767 ( -14.188 0.000 1.796) 14.302 4.150 ( 15.487 0.000 -13.512) 20.552 4.219 ( 21.030 0.000 8.544) 22.699 4.745 ( -0.597 0.000 -2.362) 2.437 4.835 ( -19.128 0.000 -1.850) 19.217 4.986 ( 4.290 0.000 -3.223) 5.366 5.336 ( -4.876 0.000 -5.976) 7.713 5.816 ( 19.606 0.000 -3.279) 19.878 6.233 ( 7.005 0.000 -7.859) 10.527 6.674 ( -2.591 0.000 8.624) 9.005 6.678 ( 2.570 0.000 -6.208) 6.719 6.848 ( -5.378 0.000 -11.640) 12.822 7.269 ( -10.556 0.000 -0.871) 10.592 7.313 ( 2.241 0.000 6.843) 7.200 7.365 ( 0.025 0.000 9.591) 9.591 7.727 ( 10.439 0.000 -2.723) 10.788 7.885 ( 15.384 0.000 -4.597) 16.056 8.172 ( -10.831 0.000 -10.215) 14.888 8.502 ( -13.905 0.000 0.652) 13.921 9.218 ( 2.304 0.000 6.100) 6.521 9.289 ( 10.140 0.000 -4.243) 10.992 9.728 ( 34.789 0.000 -2.451) 34.875 9.967 ( 13.406 0.000 2.971) 13.731 10.348 ( 12.675 0.000 -4.409) 13.420 10.596 ( -15.029 0.000 3.477) 15.426 10.868 ( 3.450 0.000 -3.494) 4.910 10.996 ( -1.571 0.000 1.183) 1.967 11.870 ( -5.727 0.000 -2.992) 6.462 12.424 ( 14.026 0.000 3.135) 14.372 12.766 ( -47.484 0.000 -9.859) 48.496 13.075 ( -18.499 0.000 2.889) 18.723 13.943 ( 30.053 0.000 -11.572) 32.204 14.108 ( 13.113 0.000 -24.007) 27.355 14.829 ( -18.508 0.000 -5.587) 19.333 15.067 ( -18.185 0.000 1.873) 18.281 15.350 ( 8.971 0.000 -4.000) 9.822 15.613 ( -4.515 0.000 -2.834) 5.331 17.582 ( 21.692 0.000 10.842) 24.250 18.228 ( -12.199 0.000 13.487) 18.186 25.099 ( 3.978 0.000 2.502) 4.700 25.216 ( -3.110 0.000 4.098) 5.145 25.388 ( 7.392 0.000 2.301) 7.742 25.652 ( 12.047 0.000 -2.649) 12.335 25.810 ( -9.709 0.000 -0.838) 9.745 26.050 ( -8.148 0.000 -2.641) 8.565 26.210 ( 0.625 0.000 -0.674) 0.919 26.236 ( -0.705 0.000 -0.847) 1.102 29.038 ( 26.764 0.000 -11.162) 28.998 29.707 ( -10.630 0.000 -2.762) 10.983 ======================= Grid point 166 (35/90) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( -3.864 0.000 2.675) 4.700 2.819 ( 3.864 0.000 2.675) 4.700 2.991 ( -29.494 0.000 -0.487) 29.498 2.991 ( 29.494 0.000 -0.487) 29.498 3.476 ( -14.397 0.000 6.308) 15.719 3.476 ( 14.397 0.000 6.308) 15.719 4.475 ( -17.950 0.000 -6.955) 19.251 4.475 ( 17.950 0.000 -6.955) 19.251 4.553 ( -14.384 0.000 0.371) 14.389 4.553 ( 14.384 0.000 0.371) 14.389 5.192 ( -10.713 0.000 -5.051) 11.844 5.192 ( 10.713 0.000 -5.051) 11.844 6.131 ( -13.210 0.000 2.425) 13.431 6.131 ( 13.210 0.000 2.425) 13.431 6.747 ( -4.629 0.000 -10.334) 11.323 6.747 ( 4.629 0.000 -10.334) 11.323 6.928 ( -21.616 0.000 -1.066) 21.643 6.928 ( 21.616 0.000 -1.066) 21.643 7.349 ( -1.551 0.000 8.805) 8.941 7.349 ( 1.551 0.000 8.805) 8.941 7.954 ( -11.853 0.000 -6.270) 13.409 7.954 ( 11.853 0.000 -6.270) 13.409 8.202 ( -16.637 0.000 -3.677) 17.039 8.202 ( 16.637 0.000 -3.677) 17.039 9.278 ( -4.518 0.000 0.853) 4.598 9.278 ( 4.518 0.000 0.853) 4.598 10.268 ( -17.118 0.000 4.002) 17.580 10.268 ( 17.118 0.000 4.002) 17.580 10.378 ( -16.792 0.000 -5.091) 17.547 10.378 ( 16.792 0.000 -5.091) 17.547 10.948 ( -3.518 0.000 -0.706) 3.588 10.948 ( 3.518 0.000 -0.706) 3.588 11.986 ( -24.789 0.000 -4.031) 25.115 11.986 ( 24.789 0.000 -4.031) 25.115 12.727 ( -17.161 0.000 3.231) 17.463 12.727 ( 17.161 0.000 3.231) 17.463 14.309 ( -2.810 0.000 -20.830) 21.018 14.309 ( 2.810 0.000 -20.830) 21.018 14.696 ( -13.802 0.000 1.123) 13.848 14.696 ( 13.802 0.000 1.123) 13.848 15.503 ( -6.843 0.000 -3.573) 7.719 15.503 ( 6.843 0.000 -3.573) 7.719 17.952 ( -16.588 0.000 12.867) 20.993 17.952 ( 16.588 0.000 12.867) 20.993 25.160 ( -2.738 0.000 3.636) 4.552 25.160 ( 2.738 0.000 3.636) 4.552 25.588 ( -12.107 0.000 0.873) 12.139 25.588 ( 12.107 0.000 0.873) 12.139 25.872 ( -10.291 0.000 -2.962) 10.708 25.872 ( 10.291 0.000 -2.962) 10.708 26.223 ( -0.706 0.000 -0.753) 1.032 26.223 ( 0.706 0.000 -0.753) 1.032 29.450 ( -16.656 0.000 -5.782) 17.631 29.450 ( 16.656 0.000 -5.782) 17.631 ======================= Grid point 172 (36/90) ======================= q-point: ( 0.12 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 11.269 11.269 34.070) 37.613 1.982 ( 18.901 18.901 29.958) 40.149 2.513 ( 6.163 6.163 0.393) 8.725 3.091 ( 28.615 28.615 31.503) 51.284 3.362 ( -0.385 -0.385 -9.386) 9.402 3.718 ( 13.415 13.415 -3.543) 19.300 3.754 ( 7.277 7.277 -21.686) 24.004 4.279 ( 3.835 3.835 -9.916) 11.303 4.444 ( 11.026 11.026 -10.716) 18.921 5.084 ( -1.567 -1.567 -15.178) 15.339 5.183 ( -9.032 -9.032 -15.974) 20.452 5.510 ( -7.618 -7.618 2.037) 10.965 5.629 ( -8.055 -8.055 4.213) 12.146 5.942 ( -12.204 -12.204 -4.673) 17.880 6.646 ( 4.497 4.497 10.131) 11.962 6.913 ( -3.017 -3.017 -2.509) 4.950 6.935 ( -0.494 -0.494 -6.935) 6.970 7.165 ( 8.046 8.046 0.060) 11.379 7.216 ( 6.284 6.284 -6.535) 11.031 7.447 ( 1.790 1.790 3.117) 4.015 7.543 ( -1.083 -1.083 6.561) 6.738 7.761 ( 10.583 10.583 -2.246) 15.135 7.930 ( 6.198 6.198 -2.133) 9.021 8.474 ( -8.477 -8.477 -4.634) 12.853 8.900 ( 0.389 0.389 12.758) 12.769 9.139 ( 4.133 4.133 10.207) 11.763 9.676 ( -0.302 -0.302 -5.092) 5.110 9.696 ( -7.647 -7.647 -4.229) 11.612 9.946 ( 5.764 5.764 -2.970) 8.676 10.584 ( 8.122 8.122 -3.335) 11.961 10.963 ( -2.898 -2.898 4.072) 5.777 11.227 ( -6.356 -6.356 -3.739) 9.735 11.732 ( -8.891 -8.891 2.076) 12.744 12.371 ( 20.884 20.884 -0.060) 29.535 12.988 ( 38.661 38.661 -47.308) 72.301 13.018 ( 6.677 6.677 -12.977) 16.049 13.643 ( -4.659 -4.659 -2.860) 7.182 14.519 ( -16.405 -16.405 -3.113) 23.409 14.936 ( 0.301 0.301 -5.019) 5.037 15.474 ( -1.393 -1.393 5.303) 5.657 15.570 ( -7.437 -7.437 -2.262) 10.757 15.576 ( -6.987 -6.987 -1.730) 10.032 16.797 ( 10.682 10.682 12.536) 19.631 18.520 ( -5.092 -5.092 9.897) 12.239 24.967 ( -1.225 -1.225 1.466) 2.269 25.256 ( -1.818 -1.818 3.750) 4.547 25.295 ( 6.555 6.555 -2.252) 9.539 25.394 ( -4.857 -4.857 8.118) 10.633 26.010 ( -1.663 -1.663 -5.819) 6.276 26.125 ( -4.990 -4.990 -1.762) 7.274 26.282 ( 1.847 1.847 0.541) 2.668 26.310 ( 2.328 2.328 -1.294) 3.537 27.844 ( 37.835 37.835 -18.425) 56.590 29.987 ( -4.788 -4.788 -0.564) 6.795 ======================= Grid point 173 (37/90) ======================= q-point: ( 0.25 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 19.894 10.884 23.805) 32.877 2.391 ( 22.367 18.199 22.319) 36.464 2.678 ( 9.984 6.799 0.285) 12.082 3.342 ( -0.890 4.237 -3.693) 5.690 3.619 ( 19.044 6.325 5.357) 20.770 3.922 ( 9.839 4.110 -17.785) 20.736 4.050 ( 14.881 22.424 8.078) 28.099 4.204 ( -7.122 16.798 -5.356) 19.016 4.662 ( 6.355 3.880 -11.705) 13.873 4.967 ( -5.271 -5.680 -6.231) 9.943 5.164 ( -7.354 -7.528 0.981) 10.569 5.363 ( 7.603 0.564 -9.320) 12.041 5.419 ( -9.311 -10.727 -0.580) 14.216 5.920 ( 6.124 -8.940 -8.226) 13.604 6.684 ( -2.076 -1.010 4.096) 4.702 6.824 ( -4.586 2.404 -1.025) 5.278 6.937 ( -0.429 -1.252 -6.678) 6.808 7.304 ( 4.338 5.271 5.127) 8.537 7.327 ( 4.366 3.343 0.257) 5.505 7.446 ( -0.918 8.290 -1.225) 8.430 7.590 ( 6.729 0.710 3.353) 7.551 7.803 ( 1.569 13.755 -2.963) 14.158 8.307 ( -6.740 -4.620 -8.001) 11.436 8.434 ( 33.306 -11.924 -7.166) 36.095 8.850 ( -2.568 10.592 7.779) 13.390 9.212 ( 1.679 -3.488 11.074) 11.731 9.542 ( -4.305 -1.773 -3.633) 5.905 9.727 ( 5.899 -3.970 -2.213) 7.446 10.142 ( 12.133 7.198 -2.088) 14.261 10.748 ( 6.186 7.443 -1.181) 9.750 10.922 ( -2.315 -5.946 3.439) 7.249 11.017 ( -12.215 0.250 -1.701) 12.336 11.669 ( 1.266 -17.409 0.956) 17.481 12.629 ( 5.072 30.469 -1.017) 30.905 13.220 ( -10.499 -9.793 -5.763) 15.471 13.338 ( 26.137 -2.308 -10.530) 28.273 13.723 ( -6.782 22.506 -29.974) 38.091 14.055 ( -13.207 0.319 -10.087) 16.621 15.018 ( 5.212 -12.438 -3.790) 14.008 15.231 ( -20.174 0.156 -4.092) 20.586 15.405 ( -5.664 4.326 2.569) 7.576 15.548 ( -1.883 -12.722 -2.693) 13.140 17.123 ( 21.448 1.119 11.712) 24.463 18.389 ( -8.389 -4.026 12.916) 15.918 24.989 ( 3.989 -2.145 1.344) 4.724 25.224 ( -1.174 -2.328 3.717) 4.540 25.338 ( -1.339 0.225 6.513) 6.653 25.470 ( 10.786 5.112 -2.286) 12.154 25.940 ( -6.639 -1.048 -3.623) 7.636 26.049 ( -2.418 -7.220 -3.154) 8.241 26.284 ( -0.943 3.616 0.491) 3.769 26.319 ( -1.420 3.269 -0.377) 3.584 28.580 ( 34.822 18.645 -17.434) 43.176 29.878 ( -6.253 -0.738 -1.838) 6.559 ======================= Grid point 174 (38/90) ======================= q-point: ( 0.38 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 24.857 8.131 11.042) 28.389 2.779 ( 15.553 14.909 8.910) 23.315 2.868 ( 8.840 9.268 2.800) 13.110 3.329 ( -1.647 2.955 1.739) 3.804 3.672 ( -10.226 14.329 -6.207) 18.666 3.978 ( -12.904 16.380 2.615) 21.016 4.147 ( 13.683 1.684 -10.597) 17.389 4.276 ( 10.588 6.486 2.231) 12.615 4.739 ( -5.667 -1.220 -1.632) 6.022 4.792 ( -14.839 -4.233 -0.504) 15.439 5.057 ( 7.460 7.591 -0.171) 10.644 5.323 ( -1.750 -1.667 -7.310) 7.699 5.728 ( 20.220 -7.903 -6.994) 22.808 6.058 ( 6.054 -12.582 -6.773) 15.518 6.571 ( -5.560 -5.944 9.141) 12.240 6.762 ( -4.977 -1.481 -6.095) 8.007 6.933 ( 3.084 9.268 -8.119) 12.702 7.307 ( -4.918 2.299 2.177) 5.849 7.374 ( 0.943 4.941 2.887) 5.800 7.406 ( -2.808 7.513 2.112) 8.294 7.765 ( 10.107 3.558 -0.554) 10.730 7.952 ( 13.513 6.984 -4.585) 15.887 8.153 ( -8.336 -1.321 -9.706) 12.862 8.553 ( -12.773 3.832 -0.488) 13.345 9.226 ( 15.280 -5.352 -3.052) 16.475 9.230 ( 5.445 1.770 5.301) 7.803 9.653 ( 23.535 -5.075 -0.161) 24.076 9.912 ( 13.381 -5.715 1.469) 14.624 10.329 ( 3.425 -0.921 -1.512) 3.855 10.620 ( -15.212 0.407 2.980) 15.506 10.868 ( 0.184 -8.065 1.020) 8.131 10.976 ( 1.618 4.804 -1.792) 5.377 11.766 ( 9.956 -5.845 -0.371) 11.551 12.677 ( 2.136 22.114 -0.600) 22.225 12.866 ( -31.586 0.826 -4.051) 31.855 13.093 ( -27.261 8.579 -1.320) 28.609 13.935 ( 29.513 -1.195 -9.597) 31.057 14.187 ( 9.977 6.904 -26.364) 29.022 14.857 ( -16.569 2.616 -6.247) 17.900 15.004 ( -10.030 -8.212 1.301) 13.028 15.336 ( 1.433 0.843 -3.921) 4.259 15.497 ( -3.482 -11.020 -3.684) 12.130 17.548 ( 21.220 -2.814 11.994) 24.537 18.193 ( -12.109 -3.525 13.940) 18.799 25.098 ( 5.817 -0.351 2.158) 6.215 25.207 ( -0.990 -0.474 3.690) 3.850 25.354 ( 4.296 -1.865 3.951) 6.127 25.686 ( 10.683 3.017 -2.459) 11.370 25.763 ( -11.023 -4.034 -0.660) 11.756 25.996 ( -4.004 -2.733 -3.986) 6.277 26.262 ( -1.051 2.241 0.276) 2.490 26.276 ( -2.194 2.169 0.092) 3.086 29.146 ( 23.921 10.616 -11.073) 28.417 29.739 ( -8.719 3.230 -3.846) 10.062 ======================= Grid point 175 (39/90) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.898 ( -7.137 6.609 2.937) 10.161 2.898 ( 7.137 6.609 2.937) 10.161 3.080 ( -20.294 9.840 -0.447) 22.559 3.080 ( 20.294 9.840 -0.447) 22.559 3.699 ( -13.281 18.849 6.297) 23.902 3.699 ( 13.281 18.849 6.297) 23.902 4.421 ( -9.012 -3.174 -3.407) 10.144 4.421 ( 9.012 -3.174 -3.407) 10.144 4.561 ( -4.775 -0.837 -2.175) 5.314 4.561 ( 4.775 -0.837 -2.175) 5.314 5.243 ( -7.605 5.065 -5.197) 10.512 5.243 ( 7.605 5.065 -5.197) 10.512 6.025 ( -9.933 -9.721 -2.418) 14.107 6.025 ( 9.933 -9.721 -2.418) 14.107 6.612 ( -8.355 -8.255 -0.547) 11.758 6.612 ( 8.355 -8.255 -0.547) 11.758 7.103 ( -12.862 11.350 -6.883) 18.483 7.103 ( 12.862 11.350 -6.883) 18.483 7.383 ( -0.694 4.057 6.008) 7.282 7.383 ( 0.694 4.057 6.008) 7.282 7.967 ( -10.246 1.367 -5.231) 11.585 7.967 ( 10.246 1.367 -5.231) 11.585 8.260 ( -16.347 5.948 -3.375) 17.720 8.260 ( 16.347 5.948 -3.375) 17.720 9.291 ( -3.283 1.366 0.312) 3.569 9.291 ( 3.283 1.366 0.312) 3.569 10.156 ( -17.524 -9.616 0.161) 19.990 10.156 ( 17.524 -9.616 0.161) 19.990 10.295 ( -23.133 -7.085 2.009) 24.277 10.295 ( 23.133 -7.085 2.009) 24.277 10.935 ( -5.328 -2.101 -0.771) 5.779 10.935 ( 5.328 -2.101 -0.771) 5.779 12.147 ( -31.243 12.038 -2.864) 33.604 12.147 ( 31.243 12.038 -2.864) 33.604 12.792 ( -9.573 8.525 1.406) 12.895 12.792 ( 9.573 8.525 1.406) 12.895 14.310 ( -2.367 -0.534 -19.437) 19.588 14.310 ( 2.367 -0.534 -19.437) 19.588 14.736 ( -9.775 3.375 0.010) 10.341 14.736 ( 9.775 3.375 0.010) 10.341 15.415 ( -4.857 -7.808 -4.633) 10.296 15.415 ( 4.857 -7.808 -4.633) 10.296 17.916 ( -16.688 -3.424 13.373) 21.658 17.916 ( 16.688 -3.424 13.373) 21.658 25.175 ( -2.464 1.537 3.555) 4.590 25.175 ( 2.464 1.537 3.555) 4.590 25.524 ( -12.015 -5.416 1.451) 13.260 25.524 ( 12.015 -5.416 1.451) 13.260 25.878 ( -8.237 1.230 -3.456) 9.017 25.878 ( 8.237 1.230 -3.456) 9.017 26.252 ( -0.230 1.169 0.160) 1.202 26.252 ( 0.230 1.169 0.160) 1.202 29.517 ( -14.873 6.640 -6.446) 17.517 29.517 ( 14.873 6.640 -6.446) 17.517 ======================= Grid point 182 (40/90) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 17.686 17.686 16.056) 29.722 2.761 ( 19.036 19.036 20.345) 33.744 2.870 ( 12.434 12.434 -1.242) 17.628 3.398 ( 1.173 1.173 -0.978) 1.926 3.769 ( 8.438 8.438 -0.780) 11.959 4.017 ( 5.626 5.626 -11.453) 13.946 4.371 ( 1.743 1.743 -7.686) 8.072 4.624 ( 21.767 21.767 8.504) 31.936 4.755 ( 2.687 2.687 -8.159) 9.001 4.806 ( -9.333 -9.333 -7.314) 15.090 4.992 ( -4.756 -4.756 2.114) 7.051 5.213 ( -6.175 -6.175 -0.808) 8.770 5.439 ( 6.851 6.851 -6.675) 11.765 5.830 ( 0.262 0.262 -8.431) 8.439 6.576 ( -7.404 -7.404 8.057) 13.212 6.836 ( -5.939 -5.939 -5.894) 10.261 6.963 ( 6.302 6.302 -6.075) 10.786 7.351 ( 0.308 0.308 4.721) 4.741 7.400 ( 4.196 4.196 2.533) 6.453 7.619 ( 6.751 6.751 -7.928) 12.410 7.689 ( 8.544 8.544 3.821) 12.673 8.128 ( 2.677 2.677 -8.913) 9.684 8.212 ( -3.423 -3.423 -8.816) 10.058 8.299 ( 14.880 14.880 -3.241) 21.292 9.072 ( 9.981 9.981 7.065) 15.785 9.135 ( -2.086 -2.086 10.369) 10.781 9.512 ( -0.659 -0.659 -3.320) 3.449 9.671 ( 0.049 0.049 -3.064) 3.065 10.309 ( 8.360 8.360 1.205) 11.884 10.731 ( -6.507 -6.507 2.913) 9.652 10.916 ( -1.668 -1.668 1.103) 2.604 10.948 ( -7.920 -7.920 2.573) 11.492 11.510 ( 5.535 5.535 -0.953) 7.885 13.004 ( -11.662 -11.662 -0.928) 16.518 13.262 ( 23.127 23.127 0.670) 32.714 13.269 ( 5.213 5.213 -11.581) 13.729 13.836 ( -16.770 -16.770 -1.554) 23.767 14.166 ( 11.865 11.865 -36.142) 39.847 14.799 ( -6.995 -6.995 -5.708) 11.421 15.193 ( -11.334 -11.334 -7.317) 17.620 15.274 ( -6.533 -6.533 -2.697) 9.624 15.469 ( 0.980 0.980 1.340) 1.928 17.232 ( 10.891 10.891 13.691) 20.608 18.278 ( -7.526 -7.526 14.215) 17.758 24.984 ( 2.717 2.717 1.635) 4.176 25.206 ( 0.191 0.191 3.929) 3.939 25.341 ( -0.003 -0.003 6.078) 6.078 25.606 ( 8.333 8.333 -2.398) 12.026 25.857 ( -7.894 -7.894 -1.283) 11.238 25.974 ( -0.565 -0.565 -5.064) 5.127 26.299 ( -1.846 -1.846 1.016) 2.801 26.331 ( -1.984 -1.984 0.992) 2.976 29.004 ( 22.971 22.971 -14.416) 35.541 29.863 ( -0.965 -0.965 -4.096) 4.318 ======================= Grid point 183 (41/90) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 19.167 12.814 7.963) 24.392 3.080 ( 10.526 14.123 10.934) 20.732 3.123 ( 13.201 17.136 -2.134) 21.736 3.398 ( -0.069 4.243 4.294) 6.037 3.896 ( 3.439 6.902 -2.684) 8.165 4.111 ( 0.715 -0.104 0.952) 1.195 4.306 ( -2.015 10.004 -7.415) 12.614 4.488 ( -9.910 9.582 -5.617) 14.885 4.647 ( -11.447 -6.956 0.625) 13.410 4.720 ( -10.704 -2.731 4.999) 12.125 5.218 ( 12.501 -10.053 -10.443) 19.141 5.269 ( 10.420 12.908 2.183) 16.732 5.625 ( 11.333 0.118 -8.328) 14.064 5.871 ( 1.710 -6.226 -8.415) 10.607 6.460 ( -3.252 -4.502 9.870) 11.325 6.669 ( -10.382 -6.591 0.018) 12.297 7.093 ( 7.409 6.259 -9.359) 13.478 7.336 ( -1.980 0.602 -1.164) 2.375 7.477 ( 3.135 7.317 1.465) 8.094 7.650 ( -5.202 12.726 -5.013) 14.633 7.834 ( 8.214 2.797 -0.068) 8.678 8.135 ( -4.363 1.704 -8.621) 9.811 8.177 ( 10.341 14.625 -6.452) 19.038 8.621 ( 0.631 4.722 -3.242) 5.762 9.164 ( 11.337 0.402 3.641) 11.914 9.318 ( 9.207 7.938 4.395) 12.927 9.579 ( 12.616 -2.547 -0.351) 12.876 9.777 ( 11.716 -7.001 0.283) 13.651 10.334 ( -9.979 1.300 3.384) 10.617 10.554 ( -16.302 -6.701 3.433) 17.957 10.725 ( -0.710 -7.374 3.419) 8.159 10.904 ( -3.500 -13.719 2.829) 14.439 11.821 ( 23.387 12.564 -2.240) 26.643 12.780 ( -13.272 -4.408 -0.871) 14.012 13.140 ( -7.383 21.232 -4.505) 22.926 13.324 ( -26.506 9.582 -1.588) 28.230 13.891 ( 26.880 -3.002 -4.553) 27.428 14.301 ( 2.585 2.872 -24.259) 24.565 14.751 ( -0.384 -14.792 -7.473) 16.577 14.896 ( -13.274 -0.773 -10.126) 16.713 15.264 ( 1.312 -8.628 -4.227) 9.698 15.425 ( -5.074 6.411 -0.925) 8.228 17.515 ( 16.893 0.410 13.849) 21.848 18.096 ( -11.455 -6.493 14.592) 19.654 25.098 ( 8.263 1.527 1.538) 8.543 25.221 ( 1.034 1.923 3.843) 4.420 25.342 ( 0.615 0.202 5.298) 5.338 25.646 ( -10.153 -5.457 -0.210) 11.528 25.795 ( 7.040 5.798 -2.966) 9.590 25.967 ( -0.888 -0.977 -3.924) 4.140 26.243 ( -3.002 -4.093 1.374) 5.259 26.266 ( -3.802 -3.415 1.527) 5.333 29.408 ( 18.050 15.219 -10.276) 25.749 29.822 ( -3.983 4.806 -6.074) 8.709 ======================= Grid point 184 (42/90) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( -11.996 8.243 3.379) 14.942 3.043 ( 11.996 8.243 3.379) 14.942 3.353 ( -8.518 17.182 -0.146) 19.178 3.353 ( 8.518 17.182 -0.146) 19.178 3.981 ( -8.958 6.713 6.276) 12.833 3.981 ( 8.958 6.713 6.276) 12.833 4.405 ( -7.528 0.496 -3.794) 8.444 4.405 ( 7.528 0.496 -3.794) 8.444 4.516 ( -6.885 -2.506 0.546) 7.347 4.516 ( 6.885 -2.506 0.546) 7.347 5.359 ( -2.506 5.114 -5.522) 7.933 5.359 ( 2.506 5.114 -5.522) 7.933 5.823 ( -7.321 -9.276 -10.117) 15.556 5.823 ( 7.321 -9.276 -10.117) 15.556 6.490 ( -6.479 -3.777 7.908) 10.898 6.490 ( 6.479 -3.777 7.908) 10.898 7.248 ( -7.455 3.142 -7.983) 11.365 7.248 ( 7.455 3.142 -7.983) 11.365 7.535 ( -4.181 10.408 0.391) 11.223 7.535 ( 4.181 10.408 0.391) 11.223 8.009 ( -8.443 3.161 -6.386) 11.048 8.009 ( 8.443 3.161 -6.386) 11.048 8.440 ( -14.023 13.141 -2.996) 19.450 8.440 ( 14.023 13.141 -2.996) 19.450 9.337 ( -4.884 3.799 0.269) 6.194 9.337 ( 4.884 3.799 0.269) 6.194 9.988 ( -20.976 -6.375 2.218) 22.035 9.988 ( 20.976 -6.375 2.218) 22.035 10.150 ( -23.355 -7.335 3.967) 24.799 10.150 ( 23.355 -7.335 3.967) 24.799 10.811 ( -5.766 -12.072 3.326) 13.786 10.811 ( 5.766 -12.072 3.326) 13.786 12.349 ( -29.273 10.283 -2.330) 31.114 12.349 ( 29.273 10.283 -2.330) 31.114 13.054 ( -2.098 15.163 -1.165) 15.352 13.054 ( 2.098 15.163 -1.165) 15.352 14.256 ( -9.363 -5.722 -11.958) 16.229 14.256 ( 9.363 -5.722 -11.958) 16.229 14.748 ( -1.913 -4.310 -10.075) 11.124 14.748 ( 1.913 -4.310 -10.075) 11.124 15.319 ( -4.613 1.399 -3.616) 6.025 15.319 ( 4.613 1.399 -3.616) 6.025 17.835 ( -15.437 -4.542 14.257) 21.499 17.835 ( 15.437 -4.542 14.257) 21.499 25.220 ( -2.379 3.303 3.309) 5.246 25.220 ( 2.379 3.303 3.309) 5.246 25.429 ( -9.812 -3.697 2.048) 10.684 25.429 ( 9.812 -3.697 2.048) 10.684 25.918 ( -4.595 2.324 -3.441) 6.193 25.918 ( 4.595 2.324 -3.441) 6.193 26.216 ( -0.740 -4.987 1.603) 5.290 26.216 ( 0.740 -4.987 1.603) 5.290 29.686 ( -10.561 9.958 -7.654) 16.410 29.686 ( 10.561 9.958 -7.654) 16.410 ======================= Grid point 192 (43/90) ======================= q-point: ( 0.38 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.979 ( 13.006 13.006 4.951) 19.048 3.267 ( 2.797 2.797 5.291) 6.606 3.476 ( 17.904 17.904 -5.330) 25.875 3.529 ( 10.751 10.751 12.179) 19.481 3.981 ( 2.740 2.740 -4.051) 5.606 4.080 ( -3.109 -3.109 10.119) 11.033 4.370 ( -4.292 -4.292 -6.895) 9.186 4.461 ( -2.834 -2.834 -5.746) 7.006 4.486 ( -10.929 -10.929 6.729) 16.857 4.707 ( -6.456 -6.456 -5.303) 10.558 5.126 ( 7.094 7.094 -8.440) 13.110 5.455 ( 3.591 3.591 0.415) 5.096 5.682 ( 3.488 3.488 -7.686) 9.133 5.784 ( -3.657 -3.657 -14.946) 15.816 6.422 ( 0.615 0.615 11.472) 11.505 6.548 ( -5.285 -5.285 10.354) 12.770 7.184 ( 3.940 3.940 -12.407) 13.601 7.326 ( -1.801 -1.801 -7.604) 8.019 7.612 ( 5.091 5.091 -0.367) 7.209 7.749 ( -2.697 -2.697 3.163) 4.955 7.936 ( 9.156 9.156 -10.169) 16.464 8.144 ( -0.332 -0.332 -12.654) 12.663 8.505 ( 15.351 15.351 -7.203) 22.873 8.783 ( 7.596 7.596 -2.459) 11.020 9.256 ( 9.850 9.850 5.148) 14.851 9.531 ( 11.572 11.572 5.191) 17.169 9.599 ( 6.470 6.470 2.876) 9.592 9.688 ( 1.428 1.428 -0.018) 2.019 10.354 ( -6.309 -6.309 7.433) 11.612 10.364 ( -12.029 -12.029 1.738) 17.100 10.503 ( -14.051 -14.051 3.782) 20.227 10.595 ( -12.367 -12.367 8.504) 19.448 12.173 ( 22.001 22.001 -3.054) 31.264 12.753 ( 0.438 0.438 -1.852) 1.953 13.268 ( -6.460 -6.460 -1.441) 9.248 13.408 ( -4.777 -4.777 -3.800) 7.751 13.915 ( 8.360 8.360 0.106) 11.823 14.248 ( -6.914 -6.914 -7.670) 12.428 14.586 ( -1.421 -1.421 -23.926) 24.010 14.770 ( -9.272 -9.272 -18.658) 22.805 15.276 ( 7.587 7.587 -2.015) 10.918 15.511 ( 0.878 0.878 -0.390) 1.301 17.586 ( 6.858 6.858 14.632) 17.554 17.945 ( -9.023 -9.023 14.827) 19.562 25.183 ( 7.072 7.072 0.963) 10.047 25.270 ( 2.783 2.783 4.380) 5.888 25.348 ( 0.228 0.228 5.546) 5.555 25.533 ( -6.603 -6.603 -0.580) 9.356 25.901 ( 4.079 4.079 -2.925) 6.468 25.938 ( -1.877 -1.877 -1.529) 3.064 26.139 ( -5.049 -5.049 1.887) 7.386 26.179 ( -4.437 -4.437 1.151) 6.380 29.685 ( 12.433 12.433 -9.123) 19.809 29.893 ( 1.682 1.682 -7.665) 8.025 ======================= Grid point 193 (44/90) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.196 ( -8.595 6.760 3.444) 11.464 3.196 ( 8.595 6.760 3.444) 11.464 3.701 ( -1.337 17.913 2.915) 18.198 3.701 ( 1.337 17.913 2.915) 18.198 4.005 ( -1.683 -1.543 5.239) 5.715 4.005 ( 1.683 -1.543 5.239) 5.715 4.308 ( -3.541 -10.007 0.463) 10.626 4.308 ( 3.541 -10.007 0.463) 10.626 4.528 ( -8.185 2.233 -5.069) 9.883 4.528 ( 8.185 2.233 -5.069) 9.883 5.359 ( -11.889 -4.792 -6.421) 14.337 5.359 ( 11.889 -4.792 -6.421) 14.337 5.733 ( -2.012 -0.281 -11.774) 11.948 5.733 ( 2.012 -0.281 -11.774) 11.948 6.467 ( -3.427 0.602 14.235) 14.654 6.467 ( 3.427 0.602 14.235) 14.654 7.264 ( -4.244 -0.611 -12.485) 13.200 7.264 ( 4.244 -0.611 -12.485) 13.200 7.681 ( -3.133 3.798 1.780) 5.236 7.681 ( 3.133 3.798 1.780) 5.236 8.091 ( -5.603 4.540 -12.729) 14.630 8.091 ( 5.603 4.540 -12.729) 14.630 8.747 ( -9.218 15.605 -5.229) 18.863 8.747 ( 9.218 15.605 -5.229) 18.863 9.480 ( -9.607 13.161 3.854) 16.744 9.480 ( 9.607 13.161 3.854) 16.744 9.922 ( -23.461 -0.928 3.454) 23.732 9.922 ( 23.461 -0.928 3.454) 23.732 10.029 ( -24.826 -4.925 5.211) 25.840 10.029 ( 24.826 -4.925 5.211) 25.840 10.462 ( -3.638 -23.127 7.227) 24.501 10.462 ( 3.638 -23.127 7.227) 24.501 12.601 ( -19.069 15.859 -2.608) 24.939 12.601 ( 19.069 15.859 -2.608) 24.939 13.229 ( -7.620 0.170 -0.864) 7.671 13.229 ( 7.620 0.170 -0.864) 7.671 14.102 ( -8.570 -7.984 -2.525) 11.982 14.102 ( 8.570 -7.984 -2.525) 11.982 14.629 ( -4.938 -5.229 -24.081) 25.132 14.629 ( 4.938 -5.229 -24.081) 25.132 15.441 ( -7.475 7.837 -1.056) 10.881 15.441 ( 7.475 7.837 -1.056) 10.881 17.757 ( -10.000 -3.176 14.782) 18.127 17.757 ( 10.000 -3.176 14.782) 18.127 25.303 ( -1.087 4.798 3.612) 6.103 25.303 ( 1.087 4.798 3.612) 6.103 25.386 ( -6.990 -0.860 1.626) 7.228 25.386 ( 6.990 -0.860 1.626) 7.228 25.923 ( -0.764 -3.163 -1.107) 3.437 25.923 ( 0.764 -3.163 -1.107) 3.437 26.113 ( -2.111 -3.325 0.705) 4.001 26.113 ( 2.111 -3.325 0.705) 4.001 29.861 ( -5.385 7.182 -8.381) 12.281 29.861 ( 5.385 7.182 -8.381) 12.281 ======================= Grid point 206 (45/90) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.268 ( 0.000 0.000 3.431) 3.431 3.268 ( 0.000 0.000 3.431) 3.431 3.955 ( -0.000 -0.000 20.819) 20.819 3.955 ( -0.000 -0.000 20.819) 20.819 4.002 ( -0.000 -0.000 -7.324) 7.324 4.002 ( 0.000 0.000 -7.324) 7.324 4.108 ( 0.000 0.000 -1.306) 1.306 4.108 ( 0.000 0.000 -1.306) 1.306 4.556 ( -0.000 -0.000 -9.954) 9.954 4.556 ( 0.000 0.000 -9.954) 9.954 5.288 ( -0.000 -0.000 -5.799) 5.799 5.288 ( -0.000 -0.000 -5.799) 5.799 5.741 ( -0.000 -0.000 -11.187) 11.187 5.741 ( 0.000 0.000 -11.187) 11.187 6.479 ( -0.000 -0.000 16.903) 16.903 6.479 ( 0.000 0.000 16.903) 16.903 7.253 ( -0.000 -0.000 -15.112) 15.112 7.253 ( 0.000 0.000 -15.112) 15.112 7.710 ( 0.000 0.000 2.674) 2.674 7.710 ( 0.000 0.000 2.674) 2.674 8.141 ( -0.000 -0.000 -15.140) 15.140 8.141 ( 0.000 0.000 -15.140) 15.140 8.907 ( -0.000 -0.000 -7.891) 7.891 8.907 ( 0.000 0.000 -7.891) 7.891 9.802 ( -0.000 -0.000 3.493) 3.493 9.802 ( -0.000 -0.000 3.493) 3.493 9.919 ( -0.000 -0.000 0.265) 0.265 9.919 ( 0.000 0.000 0.265) 0.265 9.942 ( 0.000 0.000 12.394) 12.394 9.942 ( 0.000 0.000 12.394) 12.394 10.084 ( -0.000 -0.000 8.480) 8.480 10.084 ( 0.000 0.000 8.480) 8.480 12.850 ( 0.000 0.000 -3.381) 3.381 12.850 ( 0.000 0.000 -3.381) 3.381 13.126 ( -0.000 -0.000 1.244) 1.244 13.126 ( 0.000 0.000 1.244) 1.244 14.026 ( -0.000 -0.000 -0.912) 0.912 14.026 ( 0.000 0.000 -0.912) 0.912 14.579 ( 0.000 0.000 -27.684) 27.684 14.579 ( 0.000 0.000 -27.684) 27.684 15.528 ( 0.000 0.000 -0.632) 0.632 15.528 ( -0.000 -0.000 -0.632) 0.632 17.724 ( 0.000 0.000 14.925) 14.925 17.724 ( 0.000 0.000 14.925) 14.925 25.353 ( 0.000 0.000 5.432) 5.432 25.353 ( 0.000 0.000 5.432) 5.432 25.393 ( -0.000 -0.000 -0.450) 0.450 25.393 ( 0.000 0.000 -0.450) 0.450 25.859 ( 0.000 0.000 1.389) 1.389 25.859 ( 0.000 0.000 1.389) 1.389 26.094 ( 0.000 0.000 -1.108) 1.108 26.094 ( 0.000 0.000 -1.108) 1.108 29.934 ( 0.000 0.000 -8.569) 8.569 29.934 ( 0.000 0.000 -8.569) 8.569 ======================= Grid point 243 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 0.000 0.000 31.590) 31.590 2.234 ( 0.000 0.000 31.590) 31.590 2.393 ( -0.000 -0.000 -0.104) 0.104 2.885 ( 0.000 0.000 -30.562) 30.562 3.348 ( 0.000 0.000 -6.254) 6.254 3.348 ( 0.000 0.000 -6.254) 6.254 3.379 ( -0.000 -0.000 47.641) 47.641 3.947 ( 0.000 0.000 -12.434) 12.434 3.947 ( 0.000 0.000 -12.434) 12.434 4.754 ( 0.000 0.000 -18.629) 18.629 4.916 ( 0.000 0.000 -22.690) 22.690 5.634 ( 0.000 0.000 -4.087) 4.087 5.634 ( 0.000 0.000 -4.087) 4.087 6.630 ( -0.000 -0.000 -2.959) 2.959 6.761 ( 0.000 -0.000 -10.567) 10.567 6.761 ( 0.000 0.000 -10.567) 10.567 6.915 ( 0.000 0.000 -0.452) 0.452 6.915 ( 0.000 0.000 -0.452) 0.452 7.001 ( 0.000 0.000 21.262) 21.262 7.491 ( 0.000 0.000 -0.985) 0.985 7.491 ( 0.000 0.000 -0.985) 0.985 7.580 ( -0.000 -0.000 7.574) 7.574 8.070 ( 0.000 0.000 9.949) 9.949 8.611 ( 0.000 0.000 -6.867) 6.867 9.187 ( 0.000 0.000 11.274) 11.274 9.187 ( 0.000 0.000 11.274) 11.274 9.569 ( -0.000 0.000 -5.762) 5.762 9.569 ( 0.000 0.000 -5.762) 5.762 9.885 ( 0.000 0.000 -27.778) 27.778 10.311 ( 0.000 0.000 -5.875) 5.875 11.103 ( 0.000 0.000 4.623) 4.623 11.103 ( 0.000 0.000 4.623) 4.623 11.274 ( -0.000 -0.000 -6.265) 6.265 11.994 ( 0.000 0.000 2.774) 2.774 11.994 ( 0.000 0.000 2.774) 2.774 12.601 ( 0.000 0.000 -11.996) 11.996 13.872 ( 0.000 0.000 1.428) 1.428 14.813 ( 0.000 0.000 -3.787) 3.787 14.813 ( 0.000 -0.000 -3.787) 3.787 15.639 ( -0.000 -0.000 5.750) 5.750 15.699 ( 0.000 0.000 -1.243) 1.243 15.699 ( 0.000 0.000 -1.243) 1.243 16.777 ( 0.000 0.000 10.617) 10.617 18.710 ( -0.000 -0.000 3.591) 3.591 25.029 ( 0.000 0.000 1.130) 1.130 25.119 ( -0.000 -0.000 -2.057) 2.057 25.332 ( 0.000 0.000 0.865) 0.865 25.648 ( 0.000 0.000 -1.380) 1.380 26.176 ( 0.000 0.000 -0.777) 0.777 26.176 ( 0.000 0.000 -0.777) 0.777 26.243 ( 0.000 0.000 -0.803) 0.803 26.243 ( 0.000 0.000 -0.803) 0.803 26.688 ( -0.000 -0.000 8.086) 8.086 30.094 ( 0.000 0.000 -0.828) 0.828 ======================= Grid point 244 (47/90) ======================= q-point: ( 0.12 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 8.644 0.000 22.646) 24.239 2.402 ( 12.331 0.000 35.311) 37.402 2.484 ( 9.141 0.000 6.167) 11.027 2.973 ( 8.618 0.000 -23.744) 25.259 3.394 ( 4.967 0.000 -8.008) 9.423 3.404 ( 8.075 0.000 4.747) 9.367 3.634 ( 23.173 0.000 24.386) 33.640 3.929 ( -1.874 0.000 -11.479) 11.630 4.156 ( 16.552 0.000 -11.389) 20.092 4.746 ( -1.306 0.000 -17.877) 17.924 4.890 ( 1.516 0.000 -20.790) 20.846 5.517 ( -11.611 0.000 -1.843) 11.757 5.710 ( 7.054 0.000 -2.210) 7.392 6.183 ( -30.712 0.000 -0.134) 30.713 6.641 ( -7.304 0.000 -7.494) 10.464 6.867 ( -4.805 0.000 -2.627) 5.476 6.876 ( 4.653 0.000 -4.203) 6.271 7.016 ( 7.582 0.000 -2.620) 8.022 7.189 ( 13.591 0.000 15.013) 20.251 7.475 ( -0.829 0.000 1.152) 1.420 7.599 ( 1.545 0.000 5.453) 5.668 7.675 ( 18.464 0.000 -1.612) 18.534 8.028 ( -2.287 0.000 8.260) 8.571 8.464 ( -11.800 0.000 -5.764) 13.133 9.090 ( -9.730 0.000 8.477) 12.904 9.322 ( 9.935 0.000 9.320) 13.622 9.571 ( -5.266 0.000 -10.768) 11.987 9.607 ( 4.568 0.000 -3.971) 6.053 9.785 ( 1.532 0.000 -11.400) 11.503 10.410 ( 9.026 0.000 -4.576) 10.120 11.096 ( -0.769 0.000 4.267) 4.335 11.176 ( -9.392 0.000 -5.100) 10.688 11.758 ( 48.014 0.000 -15.344) 50.406 12.026 ( 3.634 0.000 -2.039) 4.167 12.068 ( 7.050 0.000 2.656) 7.533 12.735 ( 14.747 0.000 -10.600) 18.161 13.750 ( -11.515 0.000 1.649) 11.633 14.553 ( -25.344 0.000 -3.590) 25.597 14.901 ( 8.016 0.000 -3.833) 8.885 15.543 ( -15.344 0.000 -1.910) 15.462 15.596 ( -4.934 0.000 5.355) 7.282 15.684 ( -1.594 0.000 -1.542) 2.218 16.928 ( 15.293 0.000 10.398) 18.493 18.691 ( -2.232 0.000 4.794) 5.289 25.016 ( -0.654 0.000 1.482) 1.620 25.184 ( 6.574 0.000 -2.288) 6.960 25.321 ( -0.842 0.000 0.628) 1.050 25.572 ( -6.420 0.000 3.016) 7.093 26.010 ( -8.379 0.000 0.534) 8.396 26.179 ( 0.231 0.000 -0.779) 0.813 26.199 ( -1.071 0.000 -1.916) 2.195 26.240 ( -0.289 0.000 -0.786) 0.838 27.287 ( 44.423 0.000 -1.121) 44.437 30.029 ( -6.321 0.000 -0.541) 6.345 ======================= Grid point 245 (48/90) ======================= q-point: ( 0.25 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.518 ( 10.225 0.000 6.414) 12.070 2.605 ( 9.548 0.000 35.411) 36.676 2.717 ( 13.340 0.000 14.762) 19.897 3.170 ( 10.213 0.000 -6.574) 12.146 3.550 ( 3.112 0.000 -3.780) 4.896 3.566 ( 13.690 0.000 -12.125) 18.288 3.877 ( -3.393 0.000 -7.958) 8.652 4.103 ( 15.695 0.000 14.140) 21.125 4.417 ( 14.751 0.000 -8.945) 17.251 4.752 ( 2.885 0.000 -18.125) 18.353 5.130 ( 22.808 0.000 -14.278) 26.909 5.216 ( -18.656 0.000 1.049) 18.686 5.588 ( -22.249 0.000 3.137) 22.469 5.948 ( 10.654 0.000 -1.916) 10.825 6.529 ( -4.330 0.000 -10.874) 11.705 6.739 ( -7.988 0.000 -7.941) 11.263 6.918 ( -1.817 0.000 3.425) 3.877 7.157 ( 7.892 0.000 -6.759) 10.391 7.400 ( 5.166 0.000 8.930) 10.317 7.509 ( 5.192 0.000 7.829) 9.394 7.648 ( 5.496 0.000 2.367) 5.984 7.816 ( -5.464 0.000 10.967) 12.252 8.225 ( -11.311 0.000 -5.132) 12.421 8.407 ( 40.461 0.000 -8.247) 41.293 8.840 ( -15.331 0.000 4.064) 15.860 9.398 ( -8.564 0.000 -6.250) 10.602 9.488 ( 6.809 0.000 5.425) 8.706 9.757 ( 10.781 0.000 -0.707) 10.804 9.978 ( 14.549 0.000 -4.965) 15.373 10.610 ( 10.651 0.000 -2.485) 10.937 10.942 ( -14.041 0.000 -3.050) 14.369 11.073 ( -1.752 0.000 3.178) 3.628 11.941 ( -5.920 0.000 -2.715) 6.513 12.246 ( 11.056 0.000 3.033) 11.464 12.620 ( 27.018 0.000 -28.907) 39.568 13.161 ( 27.727 0.000 -8.522) 29.007 13.471 ( -16.528 0.000 2.304) 16.688 13.953 ( -30.991 0.000 -3.488) 31.187 15.082 ( 9.970 0.000 -3.989) 10.738 15.158 ( -22.924 0.000 -3.364) 23.169 15.430 ( -12.576 0.000 4.137) 13.239 15.637 ( -3.375 0.000 -2.284) 4.075 17.325 ( 24.072 0.000 9.641) 25.931 18.613 ( -6.078 0.000 7.118) 9.360 25.044 ( 4.112 0.000 1.719) 4.457 25.279 ( 0.035 0.000 -0.714) 0.715 25.384 ( 10.199 0.000 -1.414) 10.297 25.458 ( -4.643 0.000 4.963) 6.796 25.908 ( -3.870 0.000 -0.665) 3.927 26.143 ( -5.257 0.000 -1.959) 5.610 26.185 ( 0.438 0.000 -0.779) 0.893 26.232 ( -0.517 0.000 -0.754) 0.914 28.152 ( 42.386 0.000 -6.753) 42.921 29.873 ( -9.432 0.000 -0.543) 9.447 ======================= Grid point 246 (49/90) ======================= q-point: ( 0.38 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 9.518 0.000 1.231) 9.597 2.818 ( 13.180 0.000 25.742) 28.920 2.903 ( 3.791 0.000 8.408) 9.223 3.368 ( 11.458 0.000 5.649) 12.775 3.433 ( -13.932 0.000 1.606) 14.024 3.761 ( -4.945 0.000 -2.544) 5.561 3.946 ( 20.359 0.000 -7.250) 21.611 4.296 ( 10.433 0.000 -0.108) 10.434 4.656 ( 1.420 0.000 -7.507) 7.640 4.821 ( -21.847 0.000 1.191) 21.879 4.843 ( 8.353 0.000 -11.575) 14.275 5.206 ( -12.494 0.000 -6.729) 14.191 5.695 ( 27.313 0.000 -6.984) 28.191 6.167 ( 8.458 0.000 -0.566) 8.477 6.472 ( -1.488 0.000 -13.832) 13.911 6.584 ( -7.235 0.000 -12.930) 14.816 6.846 ( -1.653 0.000 8.524) 8.683 7.245 ( -3.552 0.000 -3.640) 5.086 7.456 ( 2.526 0.000 5.526) 6.076 7.546 ( -0.969 0.000 6.979) 7.046 7.735 ( 0.746 0.000 5.106) 5.160 7.871 ( 15.183 0.000 3.648) 15.615 8.018 ( -9.383 0.000 -4.893) 10.582 8.521 ( -17.318 0.000 1.923) 17.425 9.132 ( 19.982 0.000 -7.789) 21.447 9.295 ( -1.398 0.000 -1.927) 2.380 9.725 ( 26.940 0.000 2.249) 27.034 10.010 ( 15.035 0.000 1.141) 15.078 10.265 ( 12.721 0.000 -3.862) 13.294 10.640 ( -15.814 0.000 0.538) 15.823 10.805 ( 8.109 0.000 -2.354) 8.444 11.025 ( -3.299 0.000 1.689) 3.706 11.802 ( -6.021 0.000 -3.733) 7.084 12.492 ( 14.381 0.000 3.565) 14.816 12.525 ( -33.389 0.000 -13.747) 36.108 13.135 ( -17.862 0.000 3.082) 18.126 13.682 ( 17.953 0.000 -12.900) 22.107 13.771 ( 17.310 0.000 -11.153) 20.592 14.740 ( -17.094 0.000 -3.486) 17.446 15.113 ( -19.881 0.000 2.469) 20.033 15.269 ( 9.151 0.000 -4.031) 10.000 15.552 ( -5.364 0.000 -3.125) 6.208 17.790 ( 22.802 0.000 9.616) 24.747 18.448 ( -11.138 0.000 8.945) 14.285 25.149 ( 5.199 0.000 2.586) 5.807 25.266 ( -1.492 0.000 1.009) 1.802 25.433 ( 3.982 0.000 2.183) 4.541 25.604 ( 11.266 0.000 -2.118) 11.463 25.811 ( -7.124 0.000 0.898) 7.180 25.998 ( -9.067 0.000 -2.632) 9.441 26.195 ( 0.594 0.000 -0.765) 0.969 26.220 ( -0.647 0.000 -0.736) 0.980 28.867 ( 31.145 0.000 -6.145) 31.745 29.664 ( -12.664 0.000 -1.587) 12.763 ======================= Grid point 247 (50/90) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.868 ( -6.060 0.000 2.228) 6.457 2.868 ( 6.060 0.000 2.228) 6.457 3.115 ( -17.045 0.000 13.052) 21.468 3.115 ( 17.045 0.000 13.052) 21.468 3.598 ( -10.997 0.000 5.389) 12.247 3.598 ( 10.997 0.000 5.389) 12.247 4.384 ( -23.236 0.000 -1.914) 23.314 4.384 ( 23.236 0.000 -1.914) 23.314 4.519 ( -11.485 0.000 -3.764) 12.086 4.519 ( 11.485 0.000 -3.764) 12.086 5.019 ( -8.568 0.000 -11.795) 14.578 5.019 ( 8.568 0.000 -11.795) 14.578 6.113 ( -14.215 0.000 -3.578) 14.658 6.113 ( 14.215 0.000 -3.578) 14.658 6.483 ( -2.917 0.000 -14.997) 15.278 6.483 ( 2.917 0.000 -14.997) 15.278 7.005 ( -16.095 0.000 6.395) 17.319 7.005 ( 16.095 0.000 6.395) 17.319 7.507 ( -2.616 0.000 5.677) 6.251 7.507 ( 2.616 0.000 5.677) 6.251 7.851 ( -8.358 0.000 -2.761) 8.803 7.851 ( 8.358 0.000 -2.761) 8.803 8.186 ( -17.100 0.000 2.353) 17.261 8.186 ( 17.100 0.000 2.353) 17.261 9.264 ( -3.135 0.000 -2.372) 3.931 9.264 ( 3.135 0.000 -2.372) 3.931 10.291 ( -16.235 0.000 -3.475) 16.603 10.291 ( 16.235 0.000 -3.475) 16.603 10.320 ( -16.696 0.000 1.237) 16.741 10.320 ( 16.696 0.000 1.237) 16.741 10.940 ( -5.640 0.000 -0.057) 5.640 10.940 ( 5.640 0.000 -0.057) 5.640 11.890 ( -21.052 0.000 -5.409) 21.736 11.890 ( 21.052 0.000 -5.409) 21.736 12.796 ( -16.944 0.000 3.598) 17.322 12.796 ( 16.944 0.000 3.598) 17.322 13.941 ( -7.849 0.000 -15.849) 17.686 13.941 ( 7.849 0.000 -15.849) 17.686 14.720 ( -16.537 0.000 1.142) 16.577 14.720 ( 16.537 0.000 1.142) 16.577 15.429 ( -7.397 0.000 -3.755) 8.296 15.429 ( 7.397 0.000 -3.755) 8.296 18.177 ( -17.044 0.000 9.741) 19.631 18.177 ( 17.044 0.000 9.741) 19.631 25.221 ( -2.812 0.000 2.469) 3.742 25.221 ( 2.812 0.000 2.469) 3.742 25.607 ( -11.440 0.000 1.004) 11.484 25.607 ( 11.440 0.000 1.004) 11.484 25.818 ( -9.482 0.000 -2.452) 9.793 25.818 ( 9.482 0.000 -2.452) 9.793 26.208 ( -0.671 0.000 -0.744) 1.002 26.208 ( 0.671 0.000 -0.744) 1.002 29.356 ( -19.991 0.000 -3.603) 20.313 29.356 ( 19.991 0.000 -3.603) 20.313 ======================= Grid point 253 (51/90) ======================= q-point: ( 0.12 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.437 ( 8.084 8.084 24.808) 27.315 2.542 ( 5.804 5.804 10.535) 13.355 2.559 ( 14.631 14.631 27.711) 34.584 3.066 ( 9.239 9.239 -18.160) 22.372 3.449 ( 6.398 6.398 1.240) 9.133 3.465 ( 5.105 5.105 -9.172) 11.673 3.856 ( 22.448 22.448 17.910) 36.450 4.083 ( 5.226 5.226 -7.536) 10.555 4.210 ( 11.217 11.217 -12.251) 20.043 4.784 ( 3.380 3.380 -15.446) 16.169 4.797 ( -5.512 -5.512 -20.603) 22.028 5.520 ( -5.804 -5.804 0.338) 8.215 5.658 ( 0.091 0.091 -0.191) 0.230 5.920 ( -20.990 -20.990 -0.125) 29.685 6.648 ( -1.129 -1.129 -7.992) 8.150 6.835 ( -0.864 -0.864 -3.489) 3.697 6.908 ( -1.709 -1.709 2.210) 3.276 7.044 ( 5.770 5.770 -8.260) 11.611 7.330 ( 11.490 11.490 13.842) 21.346 7.572 ( 0.861 0.861 6.856) 6.963 7.588 ( 3.737 3.737 -1.786) 5.578 7.721 ( 9.631 9.631 -1.605) 13.715 7.985 ( -2.890 -2.890 6.686) 7.836 8.358 ( -9.133 -9.133 -5.405) 14.001 9.091 ( -3.039 -3.039 6.740) 7.994 9.325 ( 2.704 2.704 7.236) 8.184 9.546 ( -5.891 -5.891 -10.686) 13.550 9.579 ( 0.614 0.614 -4.507) 4.590 9.868 ( 9.905 9.905 -4.519) 14.718 10.511 ( 9.357 9.357 -3.884) 13.791 11.051 ( -2.851 -2.851 4.655) 6.159 11.148 ( -4.151 -4.151 -4.082) 7.150 11.771 ( -9.335 -9.335 1.722) 13.314 12.210 ( 35.537 35.537 -21.983) 54.855 12.439 ( 20.117 20.117 -2.735) 28.581 12.777 ( 7.030 7.030 -10.899) 14.752 13.648 ( -9.617 -9.617 1.252) 13.657 14.455 ( -15.851 -15.851 -3.233) 22.649 14.847 ( 0.149 0.149 -4.134) 4.139 15.525 ( -8.687 -8.687 -2.227) 12.485 15.536 ( -7.691 -7.691 -2.143) 11.086 15.578 ( -2.560 -2.560 4.936) 6.121 17.030 ( 10.959 10.959 10.685) 18.824 18.670 ( -2.346 -2.346 5.820) 6.699 24.998 ( -0.990 -0.990 1.670) 2.180 25.249 ( 6.496 6.496 -2.317) 9.474 25.303 ( -1.463 -1.463 0.935) 2.271 25.522 ( -3.953 -3.953 4.912) 7.442 25.940 ( -3.345 -3.345 -1.498) 4.962 26.093 ( -4.844 -4.844 -1.410) 6.995 26.279 ( 2.963 2.963 -1.742) 4.538 26.289 ( 2.100 2.100 0.215) 2.977 27.638 ( 32.091 32.091 -4.739) 45.630 29.976 ( -5.094 -5.094 -0.520) 7.222 ======================= Grid point 254 (52/90) ======================= q-point: ( 0.25 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( 11.108 7.994 19.593) 23.899 2.661 ( 6.963 6.295 12.809) 15.880 2.858 ( 13.930 13.123 19.401) 27.251 3.281 ( 10.926 9.946 -1.128) 14.818 3.596 ( 5.552 5.098 -6.297) 9.822 3.616 ( 12.731 4.853 -9.826) 16.798 4.069 ( -2.442 14.586 -7.519) 16.590 4.241 ( 3.525 13.666 5.149) 15.024 4.500 ( 20.225 10.641 -4.314) 23.257 4.722 ( 2.666 -4.078 -16.512) 17.216 5.060 ( 22.952 -4.065 -12.753) 26.570 5.260 ( -17.406 3.014 2.596) 17.854 5.451 ( -19.608 -12.439 1.624) 23.277 5.839 ( 9.433 -8.563 -0.873) 12.770 6.610 ( -1.606 6.091 -10.350) 12.116 6.773 ( -6.913 0.869 -6.516) 9.539 6.862 ( -2.353 -5.263 3.912) 6.967 7.167 ( 6.324 4.447 -9.356) 12.137 7.495 ( 0.574 5.579 7.866) 9.661 7.559 ( 1.764 3.242 8.429) 9.202 7.682 ( 9.271 4.456 3.492) 10.863 7.810 ( -4.721 2.835 5.451) 7.748 8.168 ( -9.766 -5.076 -5.840) 12.460 8.288 ( 32.891 -9.736 -6.882) 34.985 8.962 ( -7.178 10.412 3.898) 13.234 9.379 ( -5.562 -2.096 1.104) 6.045 9.439 ( 4.974 -3.156 -2.127) 6.263 9.688 ( 9.480 -5.794 -1.831) 11.260 10.107 ( 13.494 11.426 -1.531) 17.747 10.714 ( 10.043 8.732 -2.228) 13.494 10.975 ( -11.913 1.732 -0.752) 12.062 10.999 ( -3.981 -4.718 2.628) 6.710 11.686 ( -0.056 -16.229 0.654) 16.242 12.602 ( 3.826 26.975 -1.855) 27.308 12.838 ( 17.548 15.561 -26.336) 35.265 13.158 ( 29.253 -0.111 -7.262) 30.141 13.429 ( -12.181 -1.285 -2.054) 12.420 13.960 ( -28.224 -1.260 -3.184) 28.431 14.942 ( 6.983 -12.660 -3.796) 14.948 15.153 ( -22.197 -0.657 -3.681) 22.510 15.469 ( -8.904 2.637 3.318) 9.861 15.493 ( -2.858 -13.393 -2.691) 13.956 17.347 ( 20.761 3.054 10.376) 23.410 18.590 ( -6.228 -2.570 7.784) 10.295 25.021 ( 4.007 -1.806 1.770) 4.739 25.271 ( -1.169 -0.602 1.071) 1.696 25.425 ( 10.636 4.682 -2.055) 11.801 25.453 ( -2.890 -0.313 4.789) 5.602 25.888 ( -3.413 -0.770 -1.446) 3.786 26.003 ( -4.274 -8.206 -1.799) 9.426 26.291 ( -1.065 4.391 0.159) 4.521 26.302 ( -0.715 4.238 -1.080) 4.432 28.336 ( 36.542 18.021 -7.895) 41.501 29.850 ( -7.618 -2.091 -0.988) 7.962 ======================= Grid point 255 (53/90) ======================= q-point: ( 0.38 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 8.430 7.416 4.833) 12.224 2.860 ( 12.916 6.954 15.976) 21.689 3.031 ( 3.297 11.124 9.870) 15.233 3.407 ( -3.166 3.935 6.346) 8.110 3.635 ( 4.565 17.786 2.840) 18.581 3.952 ( 16.000 7.848 -6.954) 19.130 3.998 ( -0.755 12.540 -1.802) 12.691 4.280 ( 6.207 -0.080 -2.137) 6.565 4.661 ( -3.220 -0.004 -7.105) 7.800 4.793 ( -11.097 1.403 0.767) 11.211 4.985 ( -0.444 10.666 -7.571) 13.087 5.164 ( -8.386 -4.370 -7.443) 12.034 5.572 ( 25.450 -9.687 -7.229) 28.174 5.997 ( 4.416 -12.865 -1.454) 13.679 6.584 ( -3.282 3.277 -5.346) 7.077 6.649 ( -4.939 6.626 -14.957) 17.089 6.808 ( 2.162 -2.418 5.896) 6.730 7.247 ( -2.112 3.053 -6.993) 7.917 7.469 ( -0.958 -0.281 6.635) 6.710 7.542 ( -2.340 -0.555 6.963) 7.367 7.760 ( 1.674 3.113 -0.489) 3.568 7.939 ( 13.196 6.395 3.454) 15.065 8.004 ( -5.353 -0.488 -4.257) 6.857 8.534 ( -10.563 -0.021 -1.223) 10.634 9.142 ( 18.294 2.528 -3.231) 18.748 9.292 ( -1.922 0.780 -0.721) 2.196 9.667 ( 23.259 -5.028 1.639) 23.853 9.929 ( 15.432 -7.102 0.144) 16.988 10.321 ( 5.232 5.091 0.445) 7.314 10.664 ( -15.295 1.269 1.329) 15.405 10.877 ( 1.930 -1.141 -0.532) 2.304 10.943 ( -0.857 -0.001 -0.904) 1.246 11.753 ( 7.937 -3.845 -0.950) 8.871 12.656 ( -3.295 15.865 -2.816) 16.447 12.723 ( -21.326 13.399 -8.531) 26.592 13.093 ( -18.065 -0.182 1.076) 18.098 13.724 ( 21.215 3.536 -12.041) 24.649 13.791 ( 12.918 1.851 -12.082) 17.784 14.757 ( -15.437 1.288 -3.919) 15.978 15.013 ( -4.804 -12.785 -0.532) 13.669 15.285 ( -5.114 4.417 -1.281) 6.878 15.424 ( -4.386 -12.150 -3.625) 13.417 17.771 ( 21.738 -1.479 10.109) 24.019 18.422 ( -11.291 -2.784 9.313) 14.898 25.141 ( 7.089 -1.078 2.208) 7.503 25.258 ( -0.400 -0.049 1.452) 1.507 25.427 ( 1.380 -0.175 3.080) 3.380 25.637 ( 10.637 3.329 -2.284) 11.378 25.765 ( -9.444 -4.405 0.798) 10.451 25.928 ( -4.171 -3.463 -2.978) 6.186 26.265 ( -1.278 3.348 0.001) 3.584 26.271 ( -1.787 3.400 -0.517) 3.876 28.968 ( 28.027 10.145 -6.753) 30.562 29.678 ( -10.744 1.534 -2.295) 11.093 ======================= Grid point 256 (54/90) ======================= q-point: (-0.50 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -5.273 8.089 2.286) 9.922 2.957 ( 5.273 8.089 2.286) 9.922 3.176 ( -14.886 6.656 11.144) 19.751 3.176 ( 14.886 6.656 11.144) 19.751 3.825 ( -10.674 19.158 5.543) 22.620 3.825 ( 10.674 19.158 5.543) 22.620 4.369 ( -15.031 -1.196 -1.275) 15.133 4.369 ( 15.031 -1.196 -1.275) 15.133 4.513 ( -4.235 -0.067 -2.705) 5.025 4.513 ( 4.235 -0.067 -2.705) 5.025 5.068 ( -4.266 5.044 -11.657) 13.399 5.068 ( 4.266 5.044 -11.657) 13.399 5.938 ( -11.307 -14.112 -5.856) 19.008 5.938 ( 11.307 -14.112 -5.856) 19.008 6.552 ( -2.333 2.909 -7.161) 8.073 6.552 ( 2.333 2.909 -7.161) 8.073 7.032 ( -16.049 3.696 0.037) 16.469 7.032 ( 16.049 3.696 0.037) 16.469 7.496 ( -2.444 -0.788 5.053) 5.668 7.496 ( 2.444 -0.788 5.053) 5.668 7.858 ( -6.818 0.888 -4.876) 8.429 7.858 ( 6.818 0.888 -4.876) 8.429 8.254 ( -15.945 6.406 2.576) 17.376 8.254 ( 15.945 6.406 2.576) 17.376 9.277 ( -1.476 1.745 -1.583) 2.780 9.277 ( 1.476 1.745 -1.583) 2.780 10.157 ( -15.945 -7.599 0.388) 17.668 10.157 ( 15.945 -7.599 0.388) 17.668 10.333 ( -20.193 -3.936 1.169) 20.606 10.333 ( 20.193 -3.936 1.169) 20.606 10.916 ( -3.459 -0.829 -1.089) 3.720 10.916 ( 3.459 -0.829 -1.089) 3.720 12.077 ( -27.242 14.116 -4.084) 30.953 12.077 ( 27.242 14.116 -4.084) 30.953 12.824 ( -10.716 4.743 1.736) 11.847 12.824 ( 10.716 4.743 1.736) 11.847 13.954 ( -5.983 1.112 -15.657) 16.798 13.954 ( 5.983 1.112 -15.657) 16.798 14.748 ( -14.564 1.323 0.872) 14.650 14.748 ( 14.564 1.323 0.872) 14.650 15.327 ( -5.250 -8.573 -4.132) 10.870 15.327 ( 5.250 -8.573 -4.132) 10.870 18.149 ( -16.976 -2.743 10.025) 19.905 18.149 ( 16.976 -2.743 10.025) 19.905 25.234 ( -2.503 1.332 2.398) 3.714 25.234 ( 2.503 1.332 2.398) 3.714 25.554 ( -10.822 -4.658 1.485) 11.875 25.554 ( 10.822 -4.658 1.485) 11.875 25.816 ( -7.626 0.936 -2.711) 8.147 25.816 ( 7.626 0.936 -2.711) 8.147 26.252 ( -0.098 2.447 -0.191) 2.457 26.252 ( 0.098 2.447 -0.191) 2.457 29.409 ( -17.867 5.353 -4.294) 19.140 29.409 ( 17.867 5.353 -4.294) 19.140 ======================= Grid point 263 (55/90) ======================= q-point: ( 0.25 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 8.040 8.040 23.018) 25.673 2.855 ( 12.073 12.073 0.786) 17.092 3.126 ( 12.587 12.587 14.592) 23.017 3.456 ( 6.548 6.548 8.060) 12.277 3.721 ( 6.715 6.715 -2.630) 9.854 3.787 ( 13.821 13.821 -11.102) 22.479 4.216 ( 1.545 1.545 -6.803) 7.145 4.539 ( -6.307 -6.307 -14.027) 16.623 4.573 ( 7.574 7.574 -6.758) 12.665 4.820 ( 17.779 17.779 5.374) 25.711 5.123 ( 7.624 7.624 0.701) 10.805 5.198 ( -10.367 -10.367 -2.650) 14.899 5.246 ( -3.241 -3.241 -5.534) 7.186 5.737 ( -0.352 -0.352 -1.189) 1.290 6.692 ( -2.696 -2.696 0.472) 3.842 6.738 ( -1.092 -1.092 -10.619) 10.731 6.757 ( -2.199 -2.199 -1.201) 3.334 7.308 ( 7.477 7.477 -11.150) 15.367 7.499 ( -4.336 -4.336 7.846) 9.958 7.572 ( -0.099 -0.099 2.701) 2.704 7.834 ( 7.002 7.002 8.040) 12.756 7.956 ( 3.411 3.411 -6.538) 8.125 8.054 ( -4.725 -4.725 -7.199) 9.822 8.250 ( 15.208 15.208 -1.358) 21.551 9.167 ( 8.395 8.395 2.521) 12.137 9.307 ( -2.652 -2.652 7.521) 8.404 9.427 ( 1.435 1.435 -5.551) 5.911 9.622 ( 1.595 1.595 -1.709) 2.830 10.347 ( 11.689 11.689 2.046) 16.657 10.790 ( -4.232 -4.232 2.862) 6.633 10.928 ( -1.207 -1.207 0.071) 1.708 10.989 ( -4.704 -4.704 1.664) 6.858 11.495 ( 2.104 2.104 -0.521) 3.020 12.936 ( -5.253 -5.253 -7.423) 10.502 13.049 ( 6.429 6.429 -10.135) 13.616 13.277 ( 23.164 23.164 0.867) 32.770 13.556 ( 10.864 10.864 -22.209) 27.006 13.801 ( -15.909 -15.909 -1.920) 22.581 14.717 ( -7.229 -7.229 -3.518) 10.812 15.066 ( -14.574 -14.574 -5.509) 21.334 15.215 ( -6.751 -6.751 -3.173) 10.061 15.507 ( -0.664 -0.664 2.217) 2.408 17.480 ( 11.224 11.224 11.035) 19.332 18.505 ( -6.360 -6.360 9.027) 12.744 25.019 ( 2.617 2.617 1.849) 4.136 25.268 ( 0.377 0.377 2.213) 2.276 25.445 ( -0.564 -0.564 4.278) 4.351 25.558 ( 8.419 8.419 -2.337) 12.134 25.834 ( -7.836 -7.836 -0.979) 11.125 25.902 ( 0.288 0.288 -2.261) 2.298 26.316 ( -1.487 -1.487 0.706) 2.218 26.336 ( -0.936 -0.936 -0.245) 1.346 28.774 ( 25.012 25.012 -8.719) 36.431 29.801 ( -3.008 -3.008 -2.290) 4.831 ======================= Grid point 264 (56/90) ======================= q-point: ( 0.38 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 10.114 7.922 12.538) 17.951 3.093 ( 11.685 14.678 0.738) 18.775 3.265 ( 1.289 11.119 8.313) 13.943 3.523 ( -1.402 8.641 6.234) 10.747 3.883 ( 11.288 4.290 2.075) 12.252 4.098 ( 16.514 10.159 -0.987) 19.414 4.188 ( -2.745 4.181 -4.345) 6.626 4.358 ( -4.852 3.597 -7.743) 9.821 4.649 ( -6.968 0.418 -0.121) 6.982 4.850 ( -13.791 -1.206 7.881) 15.930 5.041 ( 3.240 -4.559 -6.884) 8.870 5.247 ( 4.703 14.643 -6.556) 16.719 5.453 ( 14.917 -0.912 -7.456) 16.702 5.747 ( -1.144 -12.089 -4.074) 12.808 6.567 ( -4.701 -3.538 1.516) 6.076 6.691 ( -6.087 0.680 -1.607) 6.332 6.844 ( 10.621 3.308 -10.802) 15.506 7.353 ( -8.001 1.430 -2.010) 8.373 7.453 ( 3.830 2.644 -2.441) 5.255 7.559 ( -1.819 3.833 -0.688) 4.298 7.806 ( -0.995 -0.887 -4.968) 5.144 7.961 ( -4.706 -1.997 -8.167) 9.635 8.163 ( 14.384 14.730 4.975) 21.181 8.561 ( 4.296 6.403 -2.057) 7.980 9.244 ( 6.230 6.328 4.567) 9.986 9.372 ( 1.679 8.579 1.070) 8.807 9.572 ( 19.281 -3.201 -0.441) 19.550 9.791 ( 15.570 -6.295 0.948) 16.821 10.424 ( -9.563 4.680 5.111) 11.810 10.622 ( -16.086 -6.113 3.407) 17.543 10.774 ( -0.755 -4.962 1.452) 5.225 10.948 ( -2.349 -7.409 1.463) 7.909 11.776 ( 23.018 9.458 -2.212) 24.983 12.751 ( -14.402 -3.397 -2.314) 14.977 13.038 ( -2.653 16.854 -5.504) 17.927 13.272 ( -24.140 12.755 -3.996) 27.594 13.802 ( 21.425 3.619 -4.177) 22.126 13.828 ( 9.948 2.879 -20.043) 22.560 14.664 ( -0.847 -20.444 -3.176) 20.706 14.727 ( -14.152 -7.826 -6.736) 17.518 15.189 ( 1.183 -6.742 -3.480) 7.679 15.421 ( -7.747 7.526 0.371) 10.808 17.762 ( 16.784 1.294 10.828) 20.016 18.338 ( -11.013 -5.901 9.973) 15.986 25.130 ( 8.276 1.047 1.629) 8.499 25.283 ( 0.984 2.533 2.401) 3.627 25.433 ( -0.470 0.625 3.668) 3.750 25.643 ( -8.094 -5.808 -0.112) 9.962 25.742 ( 6.274 5.440 -2.315) 8.621 25.907 ( -0.632 0.494 -2.157) 2.302 26.266 ( -2.754 -3.236 0.908) 4.345 26.285 ( -3.432 -2.512 0.486) 4.281 29.228 ( 20.765 15.542 -7.542) 27.012 29.722 ( -5.800 2.710 -3.998) 7.548 ======================= Grid point 265 (57/90) ======================= q-point: (-0.50 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( -7.730 9.133 4.463) 12.770 3.131 ( 7.730 9.133 4.463) 12.770 3.378 ( -11.142 13.784 4.217) 18.219 3.378 ( 11.142 13.784 4.217) 18.219 4.099 ( -7.795 5.375 3.493) 10.093 4.099 ( 7.795 5.375 3.493) 10.093 4.349 ( -6.614 -0.281 -1.277) 6.742 4.349 ( 6.614 -0.281 -1.277) 6.742 4.549 ( -10.775 2.643 3.203) 11.548 4.549 ( 10.775 2.643 3.203) 11.548 5.204 ( -8.152 7.804 -8.842) 14.337 5.204 ( 8.152 7.804 -8.842) 14.337 5.667 ( -7.186 -12.017 -6.029) 15.244 5.667 ( 7.186 -12.017 -6.029) 15.244 6.568 ( -4.614 0.733 -1.547) 4.921 6.568 ( 4.614 0.733 -1.547) 4.921 7.111 ( -15.106 1.535 -5.028) 15.995 7.111 ( 15.106 1.535 -5.028) 15.995 7.516 ( -2.394 4.018 -1.406) 4.884 7.516 ( 2.394 4.018 -1.406) 4.884 7.865 ( -5.140 -0.864 -7.983) 9.534 7.865 ( 5.140 -0.864 -7.983) 9.534 8.434 ( -12.578 12.840 2.330) 18.125 8.434 ( 12.578 12.840 2.330) 18.125 9.352 ( -3.352 6.614 1.318) 7.531 9.352 ( 3.352 6.614 1.318) 7.531 10.042 ( -22.269 -4.244 2.930) 22.859 10.042 ( 22.269 -4.244 2.930) 22.859 10.214 ( -22.559 -6.531 2.510) 23.619 10.214 ( 22.559 -6.531 2.510) 23.619 10.868 ( -5.726 -6.724 2.268) 9.119 10.868 ( 5.726 -6.724 2.268) 9.119 12.299 ( -29.216 9.951 -2.687) 30.980 12.299 ( 29.216 9.951 -2.687) 30.980 13.020 ( -2.982 13.390 -2.228) 13.898 13.020 ( 2.982 13.390 -2.228) 13.898 13.974 ( -3.230 0.763 -14.407) 14.784 13.974 ( 3.230 0.763 -14.407) 14.784 14.628 ( -2.554 -15.994 -3.399) 16.549 14.628 ( 2.554 -15.994 -3.399) 16.549 15.263 ( -6.849 4.857 -2.212) 8.682 15.263 ( 6.849 4.857 -2.212) 8.682 18.081 ( -15.421 -3.974 10.498) 19.073 18.081 ( 15.421 -3.974 10.498) 19.073 25.273 ( -3.887 2.826 2.030) 5.217 25.273 ( 3.887 2.826 2.030) 5.217 25.471 ( -6.399 -3.234 1.980) 7.438 25.471 ( 6.399 -3.234 1.980) 7.438 25.860 ( -4.473 3.060 -2.403) 5.929 25.860 ( 4.473 3.060 -2.403) 5.929 26.240 ( -0.587 -4.024 0.871) 4.159 26.240 ( 0.587 -4.024 0.871) 4.159 29.550 ( -12.531 8.655 -5.730) 16.272 29.550 ( 12.531 8.655 -5.730) 16.272 ======================= Grid point 273 (58/90) ======================= q-point: ( 0.38 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 9.502 9.502 8.640) 15.975 3.375 ( 0.506 0.506 6.342) 6.382 3.389 ( 14.791 14.791 -3.237) 21.167 3.748 ( 10.433 10.433 7.173) 16.406 3.892 ( 0.875 0.875 -4.259) 4.435 4.211 ( -2.988 -2.988 -7.950) 9.004 4.276 ( 8.252 8.252 10.139) 15.459 4.341 ( -0.719 -0.719 -6.127) 6.211 4.644 ( -9.836 -9.836 -2.313) 14.101 4.665 ( -7.158 -7.158 11.814) 15.558 5.065 ( 5.329 5.329 3.034) 8.124 5.453 ( 6.443 6.443 -4.268) 10.062 5.525 ( -10.173 -10.173 -6.819) 15.921 5.529 ( 3.907 3.907 -8.594) 10.217 6.534 ( 1.788 1.788 -0.132) 2.532 6.747 ( 0.923 0.923 8.588) 8.687 6.862 ( 2.604 2.604 -19.198) 19.548 7.253 ( -8.836 -8.836 0.403) 12.503 7.548 ( 4.563 4.563 -5.924) 8.760 7.691 ( 5.871 5.871 -12.850) 15.299 7.725 ( -3.421 -3.421 -5.991) 7.700 7.913 ( -2.995 -2.995 -10.982) 11.771 8.468 ( 15.202 15.202 3.391) 21.765 8.762 ( 7.455 7.455 0.929) 10.584 9.368 ( 9.284 9.284 6.265) 14.547 9.596 ( 11.353 11.353 1.524) 16.128 9.667 ( 11.398 11.398 3.110) 16.416 9.699 ( 2.658 2.658 1.198) 3.945 10.397 ( -13.474 -13.474 1.619) 19.123 10.523 ( -4.568 -4.568 9.094) 11.156 10.579 ( -12.398 -12.398 3.670) 17.914 10.734 ( -9.642 -9.642 5.475) 14.694 12.104 ( 22.342 22.342 -3.732) 31.815 12.715 ( -0.831 -0.831 -1.981) 2.304 13.211 ( 0.407 0.407 -4.684) 4.719 13.344 ( -6.707 -6.707 -2.184) 9.733 13.873 ( 6.410 6.410 -15.724) 18.150 13.935 ( 5.820 5.820 -7.663) 11.246 14.343 ( -10.751 -10.751 -4.708) 15.916 14.451 ( -16.059 -16.059 -13.178) 26.258 15.238 ( 8.889 8.889 -1.708) 12.687 15.511 ( 0.435 0.435 0.287) 0.679 17.841 ( 6.919 6.919 10.966) 14.697 18.195 ( -8.781 -8.781 10.438) 16.222 25.203 ( 6.376 6.376 1.058) 9.079 25.345 ( 3.346 3.346 3.025) 5.616 25.442 ( 0.159 0.159 3.814) 3.821 25.522 ( -6.494 -6.494 -0.535) 9.200 25.851 ( 4.783 4.783 -2.150) 7.098 25.915 ( -0.083 -0.083 -0.705) 0.715 26.171 ( -5.089 -5.089 1.331) 7.319 26.198 ( -5.217 -5.217 0.776) 7.418 29.516 ( 13.198 13.198 -7.475) 20.106 29.759 ( 0.337 0.337 -5.688) 5.708 ======================= Grid point 274 (59/90) ======================= q-point: (-0.50 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.291 ( -7.620 6.848 5.935) 11.840 3.291 ( 7.620 6.848 5.935) 11.840 3.666 ( -12.262 14.424 -3.697) 19.289 3.666 ( 12.262 14.424 -3.697) 19.289 4.084 ( -10.094 -3.620 -1.642) 10.849 4.084 ( 10.094 -3.620 -1.642) 10.849 4.377 ( -6.325 2.574 3.125) 7.510 4.377 ( 6.325 2.574 3.125) 7.510 4.514 ( -8.637 -6.388 8.461) 13.675 4.514 ( 8.637 -6.388 8.461) 13.675 5.264 ( -13.590 -2.482 -2.424) 14.025 5.264 ( 13.590 -2.482 -2.424) 14.025 5.554 ( -2.499 0.197 -6.796) 7.244 5.554 ( 2.499 0.197 -6.796) 7.244 6.638 ( -7.786 6.732 -0.031) 10.293 6.638 ( 7.786 6.732 -0.031) 10.293 7.042 ( -12.060 -7.636 -6.940) 15.872 7.042 ( 12.060 -7.636 -6.940) 15.872 7.624 ( -3.798 5.111 -6.781) 9.302 7.624 ( 3.798 5.111 -6.781) 9.302 7.835 ( -5.443 -1.391 -12.610) 13.805 7.835 ( 5.443 -1.391 -12.610) 13.805 8.715 ( -9.588 13.340 2.087) 16.560 8.715 ( 9.588 13.340 2.087) 16.560 9.563 ( -7.745 16.110 4.168) 18.355 9.563 ( 7.745 16.110 4.168) 18.355 9.982 ( -24.956 -2.403 2.448) 25.191 9.982 ( 24.956 -2.403 2.448) 25.191 10.126 ( -25.027 -1.901 4.610) 25.519 10.126 ( 25.027 -1.901 4.610) 25.519 10.606 ( -4.335 -19.824 6.943) 21.448 10.606 ( 4.335 -19.824 6.943) 21.448 12.545 ( -19.551 15.784 -2.987) 25.304 12.545 ( 19.551 15.784 -2.987) 25.304 13.202 ( -4.469 2.543 -2.026) 5.526 13.202 ( 4.469 2.543 -2.026) 5.526 13.983 ( -2.534 0.412 -11.003) 11.299 13.983 ( 2.534 0.412 -11.003) 11.299 14.256 ( -2.312 -17.929 -11.244) 21.289 14.256 ( 2.312 -17.929 -11.244) 21.289 15.426 ( -8.502 8.784 -0.467) 12.233 15.426 ( 8.502 8.784 -0.467) 12.233 18.011 ( -9.871 -2.970 10.738) 14.885 18.011 ( 9.871 -2.970 10.738) 14.885 25.344 ( -6.298 4.004 0.916) 7.519 25.344 ( 6.298 4.004 0.916) 7.519 25.436 ( -0.135 -0.429 2.786) 2.822 25.436 ( 0.135 -0.429 2.786) 2.822 25.904 ( -1.082 0.523 -0.789) 1.437 25.904 ( 1.082 0.523 -0.789) 1.437 26.128 ( -1.235 -5.764 0.749) 5.942 26.128 ( 1.235 -5.764 0.749) 5.942 29.707 ( -6.195 6.581 -6.810) 11.317 29.707 ( 6.195 6.581 -6.810) 11.317 ======================= Grid point 287 (60/90) ======================= q-point: (-0.50 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.365 ( 0.000 0.000 6.383) 6.383 3.365 ( 0.000 0.000 6.383) 6.383 3.835 ( -0.000 -0.000 -8.919) 8.919 3.835 ( 0.000 0.000 -8.919) 8.919 4.043 ( -0.000 -0.000 -5.650) 5.650 4.043 ( 0.000 0.000 -5.650) 5.650 4.409 ( -0.000 -0.000 -4.882) 4.882 4.409 ( 0.000 0.000 -4.882) 4.882 4.411 ( -0.000 -0.000 24.876) 24.876 4.411 ( 0.000 0.000 24.876) 24.876 5.219 ( -0.000 -0.000 -1.103) 1.103 5.219 ( 0.000 0.000 -1.103) 1.103 5.570 ( 0.000 0.000 -6.217) 6.217 5.570 ( 0.000 0.000 -6.217) 6.217 6.762 ( 0.000 0.000 11.464) 11.464 6.762 ( -0.000 -0.000 11.464) 11.464 6.907 ( -0.000 -0.000 -19.693) 19.693 6.907 ( 0.000 0.000 -19.693) 19.693 7.673 ( -0.000 -0.000 -5.681) 5.681 7.673 ( -0.000 -0.000 -5.681) 5.681 7.824 ( -0.000 -0.000 -16.126) 16.126 7.824 ( 0.000 0.000 -16.126) 16.126 8.851 ( 0.000 0.000 1.690) 1.690 8.851 ( 0.000 0.000 1.690) 1.690 9.864 ( -0.000 -0.000 3.080) 3.080 9.864 ( -0.000 -0.000 3.080) 3.080 9.923 ( -0.000 -0.000 0.217) 0.217 9.923 ( 0.000 0.000 0.217) 0.217 10.188 ( -0.000 -0.000 11.903) 11.903 10.188 ( 0.000 0.000 11.903) 11.903 10.229 ( 0.000 0.000 5.880) 5.880 10.229 ( 0.000 0.000 5.880) 5.880 12.780 ( 0.000 0.000 -3.581) 3.581 12.780 ( 0.000 0.000 -3.581) 3.581 13.150 ( -0.000 -0.000 1.204) 1.204 13.150 ( 0.000 0.000 1.204) 1.204 13.999 ( -0.000 -0.000 -1.751) 1.751 13.999 ( 0.000 0.000 -1.751) 1.751 14.061 ( 0.000 0.000 -23.983) 23.983 14.061 ( 0.000 0.000 -23.983) 23.983 15.521 ( -0.000 -0.000 -0.101) 0.101 15.521 ( 0.000 0.000 -0.101) 0.101 17.980 ( 0.000 0.000 10.786) 10.786 17.980 ( 0.000 0.000 10.786) 10.786 25.384 ( -0.000 -0.000 -0.450) 0.450 25.384 ( 0.000 0.000 -0.450) 0.450 25.447 ( 0.000 0.000 3.849) 3.849 25.447 ( 0.000 0.000 3.849) 3.849 25.888 ( 0.000 0.000 1.496) 1.496 25.888 ( -0.000 -0.000 1.496) 1.496 26.075 ( 0.000 0.000 -0.830) 0.830 26.075 ( 0.000 0.000 -0.830) 0.830 29.775 ( 0.000 0.000 -7.160) 7.160 29.775 ( 0.000 0.000 -7.160) 7.160 ======================= Grid point 324 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( -0.000 -0.000 -19.258) 19.258 2.391 ( 0.000 0.000 -0.068) 0.068 2.767 ( 0.000 0.000 21.953) 21.953 2.767 ( 0.000 -0.000 21.953) 21.953 3.210 ( 0.000 0.000 -6.960) 6.960 3.210 ( 0.000 0.000 -6.960) 6.960 3.724 ( 0.000 0.000 -9.858) 9.858 3.724 ( 0.000 0.000 -9.858) 9.858 4.151 ( 0.000 0.000 28.729) 28.729 4.453 ( -0.000 -0.000 -11.237) 11.237 4.557 ( 0.000 0.000 -12.401) 12.401 5.573 ( 0.000 0.000 -1.951) 1.951 5.573 ( 0.000 0.000 -1.951) 1.951 6.550 ( 0.000 0.000 -4.448) 4.448 6.576 ( 0.000 -0.000 -7.454) 7.454 6.576 ( 0.000 0.000 -7.454) 7.454 6.919 ( 0.000 0.000 0.214) 0.214 6.919 ( 0.000 0.000 0.214) 0.214 7.332 ( -0.000 -0.000 12.043) 12.043 7.493 ( 0.000 0.000 0.896) 0.896 7.493 ( 0.000 0.000 0.896) 0.896 7.707 ( 0.000 0.000 4.901) 4.901 8.224 ( 0.000 0.000 5.566) 5.566 8.548 ( 0.000 0.000 0.727) 0.727 9.345 ( 0.000 0.000 5.048) 5.048 9.345 ( -0.000 -0.000 5.048) 5.048 9.365 ( 0.000 0.000 -23.482) 23.482 9.474 ( 0.000 0.000 -3.689) 3.689 9.474 ( 0.000 0.000 -3.689) 3.689 10.209 ( 0.000 0.000 -4.147) 4.147 11.169 ( 0.000 0.000 -4.074) 4.074 11.184 ( -0.000 -0.000 3.271) 3.271 11.184 ( -0.000 -0.000 3.271) 3.271 12.039 ( -0.000 -0.000 1.696) 1.696 12.039 ( 0.000 0.000 1.696) 1.696 12.412 ( 0.000 0.000 -6.873) 6.873 13.895 ( -0.000 -0.000 0.851) 0.851 14.752 ( -0.000 0.000 -2.291) 2.291 14.752 ( 0.000 0.000 -2.291) 2.291 15.677 ( 0.000 0.000 -0.920) 0.920 15.677 ( 0.000 0.000 -0.920) 0.920 15.729 ( 0.000 0.000 3.248) 3.248 16.942 ( 0.000 0.000 5.920) 5.920 18.768 ( 0.000 0.000 2.153) 2.153 25.048 ( 0.000 0.000 0.751) 0.751 25.085 ( 0.000 0.000 -1.278) 1.278 25.328 ( -0.000 -0.000 -0.745) 0.745 25.643 ( -0.000 -0.000 0.352) 0.352 26.162 ( 0.000 0.000 -0.606) 0.606 26.162 ( -0.000 -0.000 -0.606) 0.606 26.231 ( 0.000 0.000 -0.353) 0.353 26.231 ( -0.000 -0.000 -0.353) 0.353 26.819 ( 0.000 0.000 4.893) 4.893 30.081 ( -0.000 -0.000 -0.460) 0.460 ======================= Grid point 325 (62/90) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 4.001 0.000 -1.011) 4.127 2.585 ( 19.413 0.000 -13.552) 23.675 2.869 ( 9.483 0.000 20.099) 22.223 3.005 ( 17.949 0.000 24.816) 30.627 3.247 ( 3.867 0.000 -6.948) 7.951 3.346 ( 12.507 0.000 -3.051) 12.874 3.716 ( -0.600 0.000 -9.590) 9.609 3.872 ( 14.425 0.000 -8.693) 16.842 4.223 ( 7.486 0.000 18.179) 19.660 4.427 ( -5.727 0.000 -12.892) 14.107 4.570 ( 6.933 0.000 -11.025) 13.023 5.496 ( -8.018 0.000 -0.188) 8.020 5.684 ( 10.558 0.000 -0.408) 10.566 6.143 ( -26.807 0.000 -3.032) 26.978 6.464 ( -9.328 0.000 -8.230) 12.440 6.778 ( 9.139 0.000 -4.292) 10.096 6.842 ( -7.670 0.000 -0.510) 7.687 7.019 ( 7.385 0.000 1.086) 7.465 7.453 ( 8.225 0.000 9.303) 12.417 7.498 ( 2.799 0.000 2.288) 3.615 7.640 ( 17.473 0.000 -1.237) 17.517 7.700 ( -0.655 0.000 3.936) 3.990 8.170 ( -5.088 0.000 5.398) 7.418 8.408 ( -11.726 0.000 0.371) 11.732 9.203 ( -12.986 0.000 3.605) 13.477 9.264 ( -5.424 0.000 -16.338) 17.214 9.473 ( 8.808 0.000 4.112) 9.720 9.542 ( 7.064 0.000 -2.637) 7.541 9.614 ( 11.522 0.000 -5.310) 12.687 10.331 ( 10.776 0.000 -3.146) 11.226 11.089 ( -7.755 0.000 -3.383) 8.461 11.171 ( -1.417 0.000 2.996) 3.314 11.575 ( 34.013 0.000 -4.441) 34.302 12.009 ( -3.540 0.000 -0.584) 3.588 12.113 ( 7.183 0.000 1.740) 7.390 12.578 ( 17.106 0.000 -5.261) 17.897 13.777 ( -11.115 0.000 0.985) 11.158 14.495 ( -25.000 0.000 -2.236) 25.100 14.839 ( 7.915 0.000 -2.312) 8.246 15.510 ( -16.373 0.000 -1.314) 16.426 15.657 ( -2.081 0.000 -1.109) 2.358 15.681 ( -5.531 0.000 3.049) 6.316 17.091 ( 14.909 0.000 5.845) 16.014 18.763 ( -0.893 0.000 2.538) 2.691 25.043 ( -0.403 0.000 1.254) 1.317 25.144 ( 6.463 0.000 -1.686) 6.679 25.316 ( -0.878 0.000 -0.648) 1.091 25.616 ( -3.089 0.000 1.457) 3.416 26.031 ( -10.060 0.000 1.173) 10.128 26.164 ( 0.245 0.000 -0.596) 0.644 26.166 ( -1.048 0.000 -1.341) 1.702 26.229 ( -0.282 0.000 -0.356) 0.454 27.298 ( 38.022 0.000 1.305) 38.045 30.020 ( -5.995 0.000 -0.293) 6.002 ======================= Grid point 326 (63/90) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 7.997 0.000 -0.228) 8.000 2.991 ( 11.879 0.000 6.079) 13.344 3.114 ( 20.980 0.000 3.824) 21.326 3.250 ( 7.222 0.000 26.095) 27.076 3.388 ( 12.623 0.000 -5.666) 13.836 3.560 ( 6.936 0.000 7.363) 10.116 3.711 ( 0.339 0.000 -8.122) 8.129 4.238 ( -5.017 0.000 -2.100) 5.439 4.249 ( 19.542 0.000 -10.765) 22.311 4.434 ( 7.633 0.000 -7.283) 10.550 4.878 ( 22.899 0.000 -12.479) 26.079 5.263 ( -15.994 0.000 3.401) 16.352 5.629 ( -22.701 0.000 1.219) 22.733 5.937 ( 13.661 0.000 0.218) 13.663 6.288 ( -7.894 0.000 -11.607) 14.037 6.641 ( -12.421 0.000 -2.632) 12.697 6.948 ( 7.379 0.000 -0.113) 7.379 7.095 ( 1.461 0.000 0.289) 1.489 7.486 ( 0.735 0.000 1.761) 1.908 7.653 ( 0.756 0.000 3.860) 3.934 7.737 ( 10.760 0.000 6.362) 12.501 7.997 ( -4.120 0.000 6.948) 8.078 8.154 ( -6.606 0.000 -3.284) 7.377 8.296 ( 32.752 0.000 -1.597) 32.791 8.905 ( -16.865 0.000 2.662) 17.074 9.185 ( -2.373 0.000 -11.612) 11.852 9.611 ( 5.252 0.000 4.589) 6.975 9.736 ( 12.690 0.000 -1.230) 12.750 9.891 ( 16.554 0.000 -3.506) 16.921 10.560 ( 11.894 0.000 -2.221) 12.100 10.893 ( -12.030 0.000 -1.845) 12.170 11.129 ( -2.920 0.000 2.253) 3.689 11.892 ( -7.588 0.000 -2.017) 7.851 12.218 ( 25.182 0.000 -12.721) 28.213 12.298 ( 11.610 0.000 2.075) 11.794 13.038 ( 28.776 0.000 -4.043) 29.059 13.509 ( -15.815 0.000 1.430) 15.880 13.897 ( -32.423 0.000 -2.160) 32.494 15.017 ( 9.814 0.000 -2.432) 10.111 15.103 ( -23.880 0.000 -2.061) 23.969 15.496 ( -13.804 0.000 2.432) 14.017 15.597 ( -4.098 0.000 -1.574) 4.390 17.477 ( 23.616 0.000 5.517) 24.252 18.715 ( -4.467 0.000 3.429) 5.631 25.077 ( 4.583 0.000 1.449) 4.806 25.255 ( 1.256 0.000 -1.372) 1.860 25.362 ( 8.918 0.000 -0.836) 8.957 25.528 ( -5.174 0.000 2.261) 5.646 25.912 ( -3.440 0.000 0.685) 3.507 26.108 ( -5.567 0.000 -1.424) 5.747 26.171 ( 0.470 0.000 -0.564) 0.734 26.221 ( -0.521 0.000 -0.370) 0.639 28.080 ( 40.361 0.000 -1.520) 40.390 29.866 ( -9.687 0.000 -0.162) 9.689 ======================= Grid point 327 (64/90) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.722 ( 9.784 0.000 0.315) 9.789 3.030 ( -3.683 0.000 4.452) 5.778 3.345 ( 4.347 0.000 24.548) 24.930 3.491 ( 13.766 0.000 5.960) 15.001 3.579 ( -4.692 0.000 12.845) 13.676 3.705 ( 2.579 0.000 -2.470) 3.571 3.830 ( 26.848 0.000 -5.086) 27.326 4.238 ( 7.072 0.000 -5.858) 9.183 4.516 ( 3.934 0.000 -4.110) 5.689 4.567 ( 8.515 0.000 -14.395) 16.725 4.887 ( -22.687 0.000 4.872) 23.204 5.019 ( -13.846 0.000 -13.431) 19.291 5.609 ( 22.888 0.000 -1.640) 22.946 6.140 ( 4.354 0.000 -2.223) 4.889 6.184 ( -2.321 0.000 -13.452) 13.650 6.397 ( -11.955 0.000 -6.238) 13.485 7.000 ( 1.511 0.000 6.779) 6.945 7.168 ( 3.134 0.000 -3.015) 4.349 7.513 ( 2.052 0.000 1.126) 2.341 7.617 ( -2.698 0.000 1.120) 2.921 7.867 ( -5.404 0.000 6.187) 8.215 7.978 ( -7.865 0.000 0.077) 7.865 7.990 ( 13.853 0.000 6.363) 15.244 8.577 ( -16.720 0.000 3.176) 17.019 9.012 ( 23.985 0.000 -3.345) 24.217 9.192 ( 3.621 0.000 -7.165) 8.028 9.781 ( 19.141 0.000 2.544) 19.309 10.014 ( 15.628 0.000 -0.425) 15.634 10.203 ( 13.447 0.000 -2.336) 13.648 10.619 ( -13.807 0.000 -1.899) 13.937 10.785 ( 8.888 0.000 -0.044) 8.888 11.056 ( -4.703 0.000 1.266) 4.871 11.737 ( -6.530 0.000 -2.636) 7.042 12.287 ( -21.122 0.000 -9.292) 23.076 12.553 ( 14.667 0.000 2.433) 14.867 13.187 ( -17.193 0.000 2.002) 17.309 13.513 ( 5.579 0.000 -4.629) 7.249 13.602 ( 17.915 0.000 -6.326) 18.999 14.690 ( -14.659 0.000 -1.690) 14.756 15.154 ( -21.109 0.000 1.556) 21.166 15.202 ( 9.180 0.000 -2.524) 9.520 15.499 ( -6.003 0.000 -2.084) 6.354 17.939 ( 22.802 0.000 5.296) 23.409 18.578 ( -9.969 0.000 4.373) 10.886 25.197 ( 5.499 0.000 2.259) 5.945 25.265 ( 1.061 0.000 -0.855) 1.363 25.466 ( 1.105 0.000 1.054) 1.527 25.572 ( 10.946 0.000 -1.121) 11.003 25.839 ( -5.745 0.000 1.770) 6.012 25.948 ( -10.063 0.000 -2.363) 10.336 26.182 ( 0.643 0.000 -0.514) 0.823 26.209 ( -0.677 0.000 -0.404) 0.788 28.790 ( 32.269 0.000 -2.044) 32.333 29.644 ( -13.737 0.000 -0.510) 13.746 ======================= Grid point 328 (65/90) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.904 ( -8.604 0.000 1.403) 8.718 2.904 ( 8.604 0.000 1.403) 8.718 3.452 ( -6.763 0.000 18.862) 20.038 3.452 ( 6.763 0.000 18.862) 20.038 3.671 ( -5.207 0.000 2.164) 5.639 3.671 ( 5.207 0.000 2.164) 5.639 4.393 ( -28.232 0.000 2.043) 28.306 4.393 ( 28.232 0.000 2.043) 28.306 4.434 ( -10.031 0.000 -3.502) 10.625 4.434 ( 10.031 0.000 -3.502) 10.625 4.755 ( -10.959 0.000 -14.815) 18.427 4.755 ( 10.959 0.000 -14.815) 18.427 6.024 ( -15.832 0.000 -4.530) 16.467 6.024 ( 15.832 0.000 -4.530) 16.467 6.217 ( -5.861 0.000 -10.874) 12.353 6.217 ( 5.861 0.000 -10.874) 12.353 7.109 ( -7.821 0.000 3.695) 8.650 7.109 ( 7.821 0.000 3.695) 8.650 7.562 ( -2.879 0.000 0.700) 2.963 7.562 ( 2.879 0.000 0.700) 2.963 7.858 ( -4.098 0.000 2.427) 4.763 7.858 ( 4.098 0.000 2.427) 4.763 8.269 ( -15.151 0.000 4.701) 15.863 8.269 ( 15.151 0.000 4.701) 15.863 9.203 ( -4.153 0.000 -3.074) 5.167 9.203 ( 4.153 0.000 -3.074) 5.167 10.243 ( -14.584 0.000 -1.584) 14.670 10.243 ( 14.584 0.000 -1.584) 14.670 10.323 ( -16.030 0.000 -0.533) 16.039 10.323 ( 16.030 0.000 -0.533) 16.039 10.944 ( -7.003 0.000 0.300) 7.009 10.944 ( 7.003 0.000 0.300) 7.009 11.793 ( -17.352 0.000 -3.972) 17.801 11.793 ( 17.352 0.000 -3.972) 17.801 12.857 ( -16.663 0.000 2.414) 16.837 12.857 ( 16.663 0.000 2.414) 16.837 13.706 ( -9.400 0.000 -8.027) 12.361 13.706 ( 9.400 0.000 -8.027) 12.361 14.738 ( -18.277 0.000 0.706) 18.291 14.738 ( 18.277 0.000 0.706) 18.291 15.366 ( -7.744 0.000 -2.428) 8.116 15.366 ( 7.744 0.000 -2.428) 8.116 18.323 ( -16.601 0.000 5.033) 17.347 18.323 ( 16.601 0.000 5.033) 17.347 25.256 ( -1.958 0.000 1.146) 2.269 25.256 ( 1.958 0.000 1.146) 2.269 25.625 ( -11.820 0.000 0.750) 11.844 25.625 ( 11.820 0.000 0.750) 11.844 25.778 ( -7.654 0.000 -1.527) 7.804 25.778 ( 7.654 0.000 -1.527) 7.804 26.195 ( -0.719 0.000 -0.456) 0.852 26.195 ( 0.719 0.000 -0.456) 0.852 29.310 ( -21.630 0.000 -1.307) 21.669 29.310 ( 21.630 0.000 -1.307) 21.669 ======================= Grid point 334 (66/90) ======================= q-point: ( 0.12 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 6.178 6.178 0.138) 8.738 2.741 ( 16.167 16.167 -11.238) 25.476 3.049 ( 13.283 13.283 18.774) 26.558 3.077 ( 7.637 7.637 23.071) 25.474 3.335 ( 5.433 5.433 -4.150) 8.732 3.419 ( 9.382 9.382 0.918) 13.301 3.842 ( 9.761 9.761 -9.455) 16.732 3.988 ( 12.628 12.628 -10.090) 20.512 4.263 ( 5.754 5.754 11.044) 13.719 4.458 ( -4.357 -4.357 -11.632) 13.163 4.509 ( 3.578 3.578 -11.234) 12.322 5.547 ( -1.732 -1.732 2.076) 3.211 5.662 ( 3.718 3.718 0.800) 5.318 5.892 ( -21.016 -21.016 -2.350) 29.814 6.464 ( -3.520 -3.520 -8.618) 9.953 6.781 ( 2.378 2.378 -2.139) 3.985 6.936 ( 1.228 1.228 -2.860) 3.346 6.959 ( 0.186 0.186 2.047) 2.064 7.534 ( 3.061 3.061 -0.419) 4.349 7.586 ( 10.010 10.010 8.378) 16.450 7.674 ( 4.690 4.690 2.918) 7.246 7.707 ( 4.330 4.330 0.478) 6.142 8.112 ( -5.577 -5.577 5.076) 9.379 8.300 ( -9.475 -9.475 -0.299) 13.404 9.173 ( -5.533 -5.533 2.142) 8.113 9.240 ( -1.611 -1.611 -13.645) 13.834 9.480 ( 1.897 1.897 3.917) 4.747 9.510 ( 1.802 1.802 -2.445) 3.532 9.789 ( 13.336 13.336 -3.340) 19.153 10.444 ( 10.322 10.322 -2.693) 14.844 11.079 ( -2.180 -2.180 -2.602) 4.034 11.131 ( -3.085 -3.085 3.122) 5.364 11.795 ( -9.517 -9.517 0.706) 13.477 11.899 ( 27.953 27.953 -9.230) 40.594 12.443 ( 18.321 18.321 0.843) 25.924 12.612 ( 7.324 7.324 -5.719) 11.832 13.671 ( -10.027 -10.027 0.923) 14.210 14.401 ( -15.503 -15.503 -2.048) 22.020 14.781 ( 0.073 0.073 -2.455) 2.457 15.488 ( -9.450 -9.450 -1.428) 13.441 15.499 ( -8.335 -8.335 -1.529) 11.886 15.656 ( -3.221 -3.221 2.834) 5.366 17.196 ( 11.051 11.051 5.937) 16.718 18.755 ( -1.162 -1.162 2.893) 3.327 25.028 ( -0.832 -0.832 1.260) 1.724 25.210 ( 6.518 6.518 -1.592) 9.355 25.304 ( -0.901 -0.901 -0.358) 1.323 25.590 ( -2.724 -2.724 2.120) 4.397 25.933 ( -4.942 -4.942 0.280) 6.995 26.071 ( -4.722 -4.722 -0.760) 6.721 26.249 ( 3.248 3.248 -1.188) 4.744 26.291 ( 2.289 2.289 0.036) 3.237 27.599 ( 28.229 28.229 -0.286) 39.922 29.969 ( -5.086 -5.086 -0.234) 7.196 ======================= Grid point 335 (67/90) ======================= q-point: ( 0.25 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.646 ( 8.341 8.843 -0.226) 12.158 3.084 ( 9.686 8.869 6.237) 14.539 3.196 ( 10.613 2.493 14.288) 17.973 3.350 ( 16.747 12.854 5.223) 21.747 3.468 ( 9.617 8.397 4.467) 13.526 3.609 ( 9.086 5.432 5.380) 11.874 3.941 ( 0.899 18.862 -4.065) 19.316 4.244 ( -4.521 1.249 -2.871) 5.499 4.397 ( 17.139 14.837 -13.270) 26.268 4.421 ( 7.562 0.039 -6.880) 10.223 4.806 ( 22.160 -5.127 -12.281) 25.849 5.355 ( -14.173 7.440 5.442) 16.907 5.461 ( -20.483 -14.734 -0.050) 25.232 5.856 ( 11.024 -7.101 1.834) 13.240 6.365 ( -4.342 4.691 -12.209) 13.781 6.710 ( -11.779 5.217 -0.817) 12.908 6.923 ( 4.405 -1.291 0.757) 4.652 7.045 ( 2.608 -3.366 -1.942) 4.680 7.543 ( -0.102 4.478 -0.447) 4.502 7.660 ( -2.028 -0.727 2.151) 3.044 7.823 ( 13.033 9.104 8.143) 17.862 7.938 ( -5.146 -4.668 5.946) 9.145 8.069 ( -3.696 -7.604 -4.315) 9.492 8.207 ( 22.698 -6.000 -0.954) 23.496 9.015 ( -7.354 8.981 1.727) 11.736 9.215 ( -0.996 3.245 -9.913) 10.478 9.528 ( 4.181 -5.880 4.702) 8.612 9.653 ( 10.895 -5.675 -1.725) 12.405 10.076 ( 15.600 14.385 -1.658) 21.285 10.669 ( 11.766 9.802 -2.001) 15.444 10.953 ( -11.297 5.253 -0.787) 12.483 11.056 ( -4.864 -6.298 2.320) 8.289 11.693 ( -1.303 -14.436 0.088) 14.495 12.427 ( 21.222 18.172 -13.443) 31.005 12.576 ( 3.413 21.418 -1.660) 21.751 13.062 ( 30.655 3.297 -2.811) 30.959 13.429 ( -14.400 -6.711 0.666) 15.901 13.909 ( -29.519 -0.705 -1.897) 29.588 14.879 ( 7.458 -12.534 -2.393) 14.781 15.094 ( -23.246 -1.126 -2.213) 23.378 15.444 ( -3.427 -14.782 -1.879) 15.290 15.527 ( -10.556 2.467 2.151) 11.051 17.508 ( 20.329 3.736 5.770) 21.460 18.701 ( -4.829 -1.744 3.701) 6.329 25.053 ( 4.118 -1.775 1.335) 4.679 25.275 ( -0.692 1.417 -0.280) 1.601 25.392 ( 10.491 3.937 -1.227) 11.272 25.521 ( -3.823 -0.691 2.156) 4.443 25.879 ( -1.871 -1.488 0.159) 2.396 25.976 ( -5.412 -8.065 -1.005) 9.765 26.279 ( -0.149 5.111 -0.882) 5.188 26.295 ( -1.209 4.469 0.031) 4.630 28.244 ( 35.372 16.422 -2.262) 39.064 29.838 ( -8.194 -2.697 -0.325) 8.633 ======================= Grid point 336 (68/90) ======================= q-point: ( 0.38 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 9.262 9.074 -0.070) 12.966 3.098 ( -3.481 6.227 4.729) 8.559 3.356 ( 5.473 2.216 19.726) 20.590 3.573 ( -1.466 0.704 9.556) 9.694 3.739 ( 13.449 20.991 6.390) 25.736 3.879 ( 24.605 5.469 0.056) 25.205 3.941 ( -0.031 17.807 -2.884) 18.039 4.209 ( 5.097 -2.635 -4.628) 7.371 4.526 ( 1.756 2.680 -4.345) 5.399 4.674 ( 9.063 12.058 -13.861) 20.486 4.888 ( -17.299 -1.474 -4.427) 17.918 5.047 ( -15.835 2.413 -1.375) 16.077 5.465 ( 20.409 -10.002 -4.265) 23.125 5.970 ( -1.184 -12.048 -0.778) 12.131 6.336 ( 0.136 8.389 -14.371) 16.641 6.502 ( -7.135 7.914 -3.004) 11.071 6.941 ( 0.871 -5.549 5.995) 8.215 7.124 ( 2.650 -1.422 -4.428) 5.353 7.548 ( 0.441 1.501 1.439) 2.126 7.616 ( -2.180 -0.693 0.862) 2.445 7.803 ( -5.174 -5.578 4.277) 8.728 7.917 ( -6.895 -4.847 -2.012) 8.666 8.081 ( 12.786 8.292 6.195) 16.450 8.512 ( -3.958 -4.240 -0.797) 5.855 9.118 ( 13.884 9.521 0.652) 16.848 9.231 ( 3.310 4.489 -4.383) 7.094 9.699 ( 19.282 -7.337 1.269) 20.670 9.922 ( 16.659 -6.544 -0.678) 17.911 10.333 ( 7.910 10.104 0.566) 12.844 10.671 ( -16.744 3.432 -0.419) 17.097 10.855 ( 6.156 5.806 -1.095) 8.533 10.945 ( -5.770 -8.194 0.500) 10.034 11.732 ( 6.074 -1.238 -1.032) 6.284 12.491 ( -18.212 16.363 -8.677) 25.975 12.673 ( 6.895 12.067 -0.222) 13.900 13.119 ( -15.874 -4.198 1.243) 16.467 13.554 ( 4.720 3.057 -4.729) 7.348 13.632 ( 17.065 3.043 -5.531) 18.196 14.701 ( -13.003 0.625 -1.828) 13.146 14.991 ( 0.442 -15.425 -1.318) 15.488 15.278 ( -11.471 6.700 0.245) 13.287 15.363 ( -4.960 -12.765 -2.339) 13.893 17.926 ( 21.535 -0.948 5.478) 22.241 18.557 ( -10.273 -2.308 4.541) 11.467 25.180 ( 7.687 -1.910 1.649) 8.090 25.270 ( 0.286 1.276 0.035) 1.308 25.469 ( -0.309 0.414 1.265) 1.366 25.601 ( 10.441 3.101 -1.284) 10.967 25.789 ( -8.892 -5.470 1.496) 10.547 25.878 ( -4.180 -2.720 -2.136) 5.426 26.259 ( -1.313 4.492 -0.500) 4.706 26.265 ( -1.488 3.533 -0.086) 3.834 28.880 ( 29.271 9.138 -2.508) 30.766 29.648 ( -11.952 0.519 -0.848) 11.994 ======================= Grid point 337 (69/90) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.987 ( -7.615 7.908 0.997) 11.024 2.987 ( 7.615 7.908 0.997) 11.024 3.469 ( -6.639 2.010 16.130) 17.559 3.469 ( 6.639 2.010 16.130) 17.559 3.900 ( -4.575 18.685 2.560) 19.406 3.900 ( 4.575 18.685 2.560) 19.406 4.348 ( -6.848 -2.787 -1.634) 7.571 4.348 ( 6.848 -2.787 -1.634) 7.571 4.481 ( -9.721 4.272 -0.471) 10.629 4.481 ( 9.721 4.272 -0.471) 10.629 4.832 ( -7.231 8.151 -11.162) 15.598 4.832 ( 7.231 8.151 -11.162) 15.598 5.812 ( -13.835 -14.101 -6.149) 20.689 5.812 ( 13.835 -14.101 -6.149) 20.689 6.387 ( -5.794 9.177 -7.626) 13.264 6.387 ( 5.794 9.177 -7.626) 13.264 7.054 ( -8.476 -3.717 1.355) 9.354 7.054 ( 8.476 -3.717 1.355) 9.354 7.572 ( -2.280 -0.468 2.168) 3.180 7.572 ( 2.280 -0.468 2.168) 3.180 7.803 ( -4.326 -4.368 -0.680) 6.185 7.803 ( 4.326 -4.368 -0.680) 6.185 8.323 ( -12.037 5.415 3.434) 13.639 8.323 ( 12.037 5.415 3.434) 13.639 9.246 ( -3.067 4.631 -1.205) 5.684 9.246 ( 3.067 4.631 -1.205) 5.684 10.171 ( -14.158 -4.649 0.832) 14.925 10.171 ( 14.158 -4.649 0.832) 14.925 10.335 ( -15.397 -2.177 -0.685) 15.565 10.335 ( 15.397 -2.177 -0.685) 15.565 10.898 ( -1.613 -1.209 -0.681) 2.128 10.898 ( 1.613 -1.209 -0.681) 2.128 12.001 ( -23.041 15.923 -3.241) 28.194 12.001 ( 23.041 15.923 -3.241) 28.194 12.855 ( -11.737 1.416 1.317) 11.895 12.855 ( 11.737 1.416 1.317) 11.895 13.722 ( -8.770 1.464 -7.904) 11.897 13.722 ( 8.770 1.464 -7.904) 11.897 14.763 ( -16.348 0.416 0.580) 16.363 14.763 ( 16.348 0.416 0.580) 16.363 15.261 ( -5.106 -8.455 -2.499) 10.188 15.261 ( 5.106 -8.455 -2.499) 10.188 18.299 ( -16.510 -2.406 5.152) 17.461 18.299 ( 16.510 -2.406 5.152) 17.461 25.269 ( -1.445 1.219 1.136) 2.205 25.269 ( 1.445 1.219 1.136) 2.205 25.578 ( -10.863 -4.359 0.852) 11.736 25.578 ( 10.863 -4.359 0.852) 11.736 25.775 ( -7.129 1.011 -1.505) 7.356 25.775 ( 7.129 1.011 -1.505) 7.356 26.247 ( -0.250 3.162 -0.238) 3.181 26.247 ( 0.250 3.162 -0.238) 3.181 29.351 ( -19.491 4.290 -1.715) 20.031 29.351 ( 19.491 4.290 -1.715) 20.031 ======================= Grid point 344 (70/90) ======================= q-point: ( 0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( 10.412 10.412 -0.308) 14.728 3.208 ( 1.986 1.986 15.918) 16.164 3.322 ( 10.647 10.647 6.884) 16.556 3.513 ( 6.848 6.848 -6.292) 11.549 3.731 ( 7.013 7.013 4.979) 11.098 3.781 ( 19.636 19.636 12.551) 30.474 4.156 ( 1.689 1.689 2.051) 3.148 4.265 ( -4.312 -4.312 -12.482) 13.892 4.514 ( 13.301 13.301 -0.612) 18.820 4.796 ( 18.298 18.298 -9.650) 27.617 4.820 ( 12.068 12.068 -18.344) 25.055 5.138 ( -16.960 -16.960 -1.140) 24.012 5.422 ( -4.324 -4.324 11.621) 13.132 5.750 ( -1.252 -1.252 1.374) 2.240 6.405 ( 0.441 0.441 -15.321) 15.334 6.786 ( -0.035 -0.035 3.419) 3.419 6.807 ( -7.910 -7.910 4.305) 11.986 7.098 ( 6.837 6.837 -9.115) 13.288 7.571 ( -2.333 -2.333 -0.598) 3.353 7.624 ( -2.514 -2.514 2.093) 4.126 7.825 ( -8.586 -8.586 -1.971) 12.302 7.930 ( -6.239 -6.239 -5.341) 10.314 8.052 ( 12.924 12.924 8.524) 20.167 8.259 ( 15.604 15.604 2.099) 22.166 9.180 ( 7.333 7.333 -0.632) 10.390 9.303 ( 5.453 5.453 -6.364) 9.999 9.435 ( -2.709 -2.709 5.268) 6.514 9.605 ( 2.991 2.991 -0.197) 4.234 10.369 ( 14.673 14.673 0.119) 20.751 10.833 ( 2.205 2.205 1.293) 3.376 10.925 ( -5.405 -5.405 -0.136) 7.645 11.018 ( -2.550 -2.550 1.277) 3.826 11.490 ( -0.747 -0.747 -0.105) 1.062 12.727 ( 8.523 8.523 -10.740) 16.144 12.892 ( 6.829 6.829 -5.570) 11.149 13.293 ( 22.789 22.789 0.625) 32.235 13.325 ( -2.224 -2.224 -4.251) 5.288 13.768 ( -15.236 -15.236 -1.308) 21.587 14.658 ( -6.944 -6.944 -2.278) 10.081 14.983 ( -16.286 -16.286 -2.929) 23.218 15.160 ( -6.778 -6.778 -2.184) 9.831 15.545 ( -1.807 -1.807 1.522) 2.975 17.648 ( 11.206 11.206 5.945) 16.927 18.635 ( -5.430 -5.430 4.291) 8.796 25.051 ( 2.511 2.511 1.292) 3.779 25.294 ( 0.841 0.841 0.667) 1.363 25.504 ( -1.092 -1.092 1.765) 2.346 25.520 ( 8.523 8.523 -1.460) 12.142 25.819 ( -7.733 -7.733 -0.495) 10.947 25.879 ( 0.510 0.510 -0.439) 0.844 26.326 ( -1.220 -1.220 0.321) 1.755 26.328 ( -0.205 -0.205 -0.483) 0.564 28.660 ( 24.661 24.661 -3.297) 35.032 29.771 ( -4.193 -4.193 -0.874) 5.994 ======================= Grid point 345 (71/90) ======================= q-point: ( 0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 9.248 12.023 -0.221) 15.169 3.231 ( 0.065 6.976 7.129) 9.974 3.446 ( 3.523 6.116 9.963) 12.210 3.615 ( -0.187 4.700 3.661) 5.961 3.929 ( 14.113 -0.190 2.363) 14.311 4.130 ( 0.226 3.087 0.102) 3.097 4.169 ( 13.736 13.506 6.089) 20.203 4.195 ( 3.756 4.090 -6.900) 8.857 4.673 ( -5.509 6.772 2.061) 8.970 4.884 ( -1.300 4.796 -10.135) 11.288 4.982 ( -0.494 6.259 -8.133) 10.274 5.047 ( 2.360 10.756 2.800) 11.362 5.381 ( 7.977 0.072 -1.844) 8.187 5.718 ( -5.148 -12.819 1.233) 13.869 6.422 ( 0.600 1.119 -15.332) 15.384 6.602 ( -7.880 -0.602 0.204) 7.906 6.843 ( 4.927 -1.798 3.390) 6.245 7.197 ( 0.269 8.263 -7.991) 11.498 7.502 ( -3.116 -6.313 3.196) 7.732 7.578 ( -2.430 -3.032 1.602) 4.203 7.682 ( -3.123 -6.897 -5.849) 9.567 7.812 ( -5.716 -5.637 -6.940) 10.612 8.300 ( 12.190 13.944 6.960) 19.786 8.554 ( 6.207 10.843 1.024) 12.536 9.328 ( 6.540 11.091 2.984) 13.217 9.375 ( 1.046 10.447 0.010) 10.499 9.557 ( 20.904 -5.163 -0.932) 21.553 9.807 ( 17.416 -5.138 0.537) 18.166 10.509 ( -8.557 5.842 3.157) 10.831 10.683 ( -18.028 -3.222 2.731) 18.516 10.783 ( 0.003 -4.465 -0.309) 4.475 10.961 ( -1.262 -1.343 0.027) 1.843 11.741 ( 22.453 6.156 -1.258) 23.316 12.687 ( -12.693 1.614 -3.741) 13.331 12.943 ( 0.877 13.135 -3.764) 13.692 13.180 ( -16.654 11.451 -4.241) 20.651 13.576 ( 4.515 -2.383 -6.535) 8.293 13.737 ( 15.376 8.296 -2.349) 17.629 14.612 ( -1.089 -20.848 -2.005) 20.973 14.633 ( -11.999 -12.358 -3.073) 17.497 15.133 ( 1.603 -5.200 -2.073) 5.823 15.432 ( -9.553 7.733 0.581) 12.304 17.925 ( 16.410 1.542 5.704) 17.442 18.483 ( -10.333 -5.420 4.875) 12.646 25.158 ( 8.020 0.639 1.115) 8.122 25.315 ( 1.092 3.149 0.900) 3.452 25.481 ( -1.004 0.789 1.412) 1.904 25.640 ( -5.301 -5.355 -0.199) 7.538 25.708 ( 4.673 4.153 -1.110) 6.349 25.880 ( -1.031 1.672 -0.722) 2.093 26.278 ( -2.699 -2.595 0.418) 3.767 26.288 ( -2.934 -1.792 -0.027) 3.438 29.122 ( 21.780 14.896 -3.328) 26.596 29.667 ( -7.170 1.221 -1.727) 7.476 ======================= Grid point 346 (72/90) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.180 ( -5.587 11.304 0.841) 12.637 3.180 ( 5.587 11.304 0.841) 12.637 3.533 ( -5.774 4.536 9.759) 12.213 3.533 ( 5.774 4.536 9.759) 12.213 4.098 ( -2.906 -1.279 -1.935) 3.718 4.098 ( 2.906 -1.279 -1.935) 3.718 4.339 ( -12.406 2.047 -0.834) 12.601 4.339 ( 12.406 2.047 -0.834) 12.601 4.635 ( -17.282 10.548 4.668) 20.778 4.635 ( 17.282 10.548 4.668) 20.778 5.072 ( -4.572 15.543 -4.174) 16.730 5.072 ( 4.572 15.543 -4.174) 16.730 5.560 ( -9.300 -11.197 -4.809) 15.329 5.560 ( 9.300 -11.197 -4.809) 15.329 6.470 ( -5.580 -0.152 -6.107) 8.274 6.470 ( 5.580 -0.152 -6.107) 8.274 7.039 ( -13.029 1.746 -2.584) 13.397 7.039 ( 13.029 1.746 -2.584) 13.397 7.521 ( -3.219 -3.776 1.912) 5.318 7.521 ( 3.219 -3.776 1.912) 5.318 7.711 ( -4.396 -5.223 -7.296) 9.992 7.711 ( 4.396 -5.223 -7.296) 9.992 8.503 ( -8.163 13.647 3.728) 16.333 8.503 ( 8.163 13.647 3.728) 16.333 9.383 ( -0.476 9.543 1.505) 9.672 9.383 ( 0.476 9.543 1.505) 9.672 10.089 ( -24.472 -3.980 1.694) 24.851 10.089 ( 24.472 -3.980 1.694) 24.851 10.249 ( -21.311 -4.794 1.138) 21.873 10.249 ( 21.311 -4.794 1.138) 21.873 10.896 ( -5.663 -2.219 0.683) 6.120 10.896 ( 5.663 -2.219 0.683) 6.120 12.250 ( -28.273 10.201 -2.079) 30.129 12.250 ( 28.273 10.201 -2.079) 30.129 12.976 ( -3.931 10.372 -1.977) 11.266 12.976 ( 3.931 10.372 -1.977) 11.266 13.754 ( -9.586 1.597 -7.516) 12.286 13.754 ( 9.586 1.597 -7.516) 12.286 14.583 ( -3.422 -20.163 -1.493) 20.505 14.583 ( 3.422 -20.163 -1.493) 20.505 15.232 ( -9.012 7.269 -0.952) 11.617 15.232 ( 9.012 7.269 -0.952) 11.617 18.237 ( -14.970 -3.721 5.339) 16.323 18.237 ( 14.970 -3.721 5.339) 16.323 25.302 ( -4.306 2.313 0.955) 4.981 25.302 ( 4.306 2.313 0.955) 4.981 25.500 ( -4.692 -2.945 0.888) 5.610 25.500 ( 4.692 -2.945 0.888) 5.610 25.826 ( -4.757 3.725 -1.153) 6.151 25.826 ( 4.757 3.725 -1.153) 6.151 26.251 ( -0.315 -3.295 0.307) 3.325 26.251 ( 0.315 -3.295 0.307) 3.325 29.469 ( -13.880 7.407 -2.631) 15.951 29.469 ( 13.880 7.407 -2.631) 15.951 ======================= Grid point 354 (73/90) ======================= q-point: ( 0.38 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.249 ( 9.584 9.584 2.559) 13.793 3.376 ( 7.871 7.871 2.453) 11.398 3.511 ( 0.920 0.920 7.101) 7.219 3.770 ( 5.755 5.755 -3.694) 8.938 3.859 ( -2.380 -2.380 1.856) 3.843 4.078 ( -4.086 -4.086 -5.964) 8.304 4.239 ( 3.384 3.384 -3.886) 6.165 4.496 ( 16.030 16.030 12.539) 25.907 4.587 ( -11.127 -11.127 -3.437) 16.107 4.946 ( 2.897 2.897 15.072) 15.619 5.147 ( 5.277 5.277 -1.719) 7.658 5.299 ( 6.245 6.245 -6.036) 10.698 5.376 ( 3.605 3.605 -2.049) 5.494 5.523 ( -7.858 -7.858 1.205) 11.178 6.431 ( 0.163 0.163 -14.135) 14.137 6.534 ( -2.653 -2.653 -7.310) 8.217 6.861 ( 2.769 2.769 3.308) 5.126 7.288 ( -12.329 -12.329 1.805) 17.529 7.384 ( 6.497 6.497 -8.897) 12.790 7.541 ( -0.881 -0.881 -2.244) 2.567 7.577 ( -2.311 -2.311 -7.146) 7.858 7.711 ( -4.845 -4.845 -9.309) 11.559 8.578 ( 13.591 13.591 5.992) 20.133 8.813 ( 8.585 8.585 3.439) 12.619 9.485 ( 9.047 9.047 5.015) 13.742 9.600 ( 11.825 11.825 -0.666) 16.737 9.701 ( 14.815 14.815 0.407) 20.955 9.727 ( 3.328 3.328 1.379) 4.904 10.424 ( -14.477 -14.477 1.006) 20.498 10.637 ( -11.348 -11.348 2.075) 16.183 10.682 ( -2.437 -2.437 6.543) 7.395 10.804 ( -7.997 -7.997 1.732) 11.442 12.038 ( 22.544 22.544 -2.715) 31.998 12.679 ( -1.395 -1.395 -1.551) 2.509 13.110 ( 4.020 4.020 -4.556) 7.285 13.320 ( -7.539 -7.539 -0.520) 10.674 13.520 ( 6.360 6.360 -13.436) 16.169 13.906 ( 6.007 6.007 -0.687) 8.523 14.264 ( -20.222 -20.222 -6.045) 29.230 14.280 ( -11.420 -11.420 -2.225) 16.303 15.213 ( 10.194 10.194 -0.859) 14.442 15.519 ( 0.035 0.035 0.440) 0.443 18.005 ( 6.732 6.732 5.644) 11.068 18.348 ( -8.449 -8.449 5.166) 13.018 25.221 ( 5.720 5.720 0.706) 8.120 25.386 ( 3.726 3.726 1.248) 5.415 25.493 ( 0.183 0.183 1.474) 1.497 25.514 ( -6.430 -6.430 -0.308) 9.099 25.819 ( 5.445 5.445 -1.098) 7.778 25.908 ( 0.633 0.633 -0.102) 0.901 26.191 ( -5.076 -5.076 0.686) 7.211 26.208 ( -5.282 -5.282 0.284) 7.475 29.407 ( 13.374 13.374 -3.662) 19.264 29.677 ( -0.877 -0.877 -2.709) 2.980 ======================= Grid point 355 (74/90) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.395 ( -5.409 10.121 3.411) 11.972 3.395 ( 5.409 10.121 3.411) 11.972 3.631 ( -10.631 4.924 1.352) 11.794 3.631 ( 10.631 4.924 1.352) 11.794 3.988 ( -6.228 -7.453 -6.475) 11.673 3.988 ( 6.228 -7.453 -6.475) 11.673 4.362 ( -9.943 -0.095 -1.696) 10.087 4.362 ( 9.943 -0.095 -1.696) 10.087 4.805 ( -14.849 6.797 15.680) 22.639 4.805 ( 14.849 6.797 15.680) 22.639 5.287 ( -10.986 1.461 4.121) 11.824 5.287 ( 10.986 1.461 4.121) 11.824 5.431 ( -4.596 0.733 -6.370) 7.889 5.431 ( 4.596 0.733 -6.370) 7.889 6.471 ( -4.088 2.007 -12.067) 12.898 6.471 ( 4.088 2.007 -12.067) 12.898 7.013 ( -12.942 -5.725 0.712) 14.170 7.013 ( 12.942 -5.725 0.712) 14.170 7.492 ( -3.722 1.694 -4.922) 6.399 7.492 ( 3.722 1.694 -4.922) 6.399 7.619 ( -4.538 -3.952 -8.899) 10.742 7.619 ( 4.538 -3.952 -8.899) 10.742 8.792 ( -7.857 13.122 4.380) 15.909 8.792 ( 7.857 13.122 4.380) 15.909 9.630 ( -5.233 16.520 2.459) 17.503 9.630 ( 5.233 16.520 2.459) 17.503 10.016 ( -25.739 -3.490 1.116) 25.999 10.016 ( 25.739 -3.490 1.116) 25.999 10.200 ( -26.675 0.438 2.685) 26.813 10.200 ( 26.675 0.438 2.685) 26.813 10.716 ( -2.827 -16.567 4.014) 17.279 10.716 ( 2.827 -16.567 4.014) 17.279 12.493 ( -20.360 15.696 -2.133) 25.796 12.493 ( 20.360 15.696 -2.133) 25.796 13.152 ( -3.432 5.436 -2.728) 6.984 13.152 ( 3.432 5.436 -2.728) 6.984 13.761 ( -15.619 -2.244 -8.700) 18.019 13.761 ( 15.619 -2.244 -8.700) 18.019 14.143 ( -4.185 -20.148 -2.707) 20.755 14.143 ( 4.185 -20.148 -2.707) 20.755 15.422 ( -9.388 9.441 -0.014) 13.315 15.422 ( 9.388 9.441 -0.014) 13.315 18.169 ( -9.579 -2.908 5.414) 11.381 18.169 ( 9.579 -2.908 5.414) 11.381 25.354 ( -7.051 2.496 0.260) 7.484 25.354 ( 7.051 2.496 0.260) 7.484 25.476 ( -2.009 0.659 1.262) 2.462 25.476 ( 2.009 0.659 1.262) 2.462 25.894 ( -2.211 2.628 -0.314) 3.449 25.894 ( 2.211 2.628 -0.314) 3.449 26.140 ( -0.691 -6.794 0.429) 6.843 26.140 ( 0.691 -6.794 0.429) 6.843 29.606 ( -6.913 5.900 -3.404) 9.705 29.606 ( 6.913 5.900 -3.404) 9.705 ======================= Grid point 368 (75/90) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.514 ( 0.000 0.000 8.721) 8.721 3.514 ( 0.000 0.000 8.721) 8.721 3.687 ( -0.000 -0.000 -5.608) 5.608 3.687 ( 0.000 0.000 -5.608) 5.608 3.892 ( 0.000 0.000 -9.337) 9.337 3.892 ( 0.000 0.000 -9.337) 9.337 4.354 ( 0.000 0.000 -1.209) 1.209 4.354 ( 0.000 0.000 -1.209) 1.209 4.883 ( -0.000 -0.000 21.576) 21.576 4.883 ( 0.000 0.000 21.576) 21.576 5.250 ( 0.000 0.000 4.003) 4.003 5.250 ( 0.000 0.000 4.003) 4.003 5.472 ( 0.000 0.000 -4.659) 4.659 5.472 ( 0.000 0.000 -4.659) 4.659 6.517 ( -0.000 -0.000 -18.590) 18.590 6.517 ( 0.000 0.000 -18.590) 18.590 6.919 ( 0.000 0.000 4.713) 4.713 6.919 ( -0.000 -0.000 4.713) 4.713 7.547 ( -0.000 -0.000 -5.732) 5.732 7.547 ( 0.000 0.000 -5.732) 5.732 7.555 ( -0.000 -0.000 -10.347) 10.347 7.555 ( 0.000 0.000 -10.347) 10.347 8.923 ( 0.000 0.000 4.224) 4.224 8.923 ( 0.000 0.000 4.224) 4.224 9.919 ( -0.000 -0.000 2.259) 2.259 9.919 ( -0.000 -0.000 2.259) 2.259 9.927 ( -0.000 -0.000 0.114) 0.114 9.927 ( 0.000 0.000 0.114) 0.114 10.310 ( -0.000 -0.000 2.459) 2.459 10.310 ( -0.000 -0.000 2.459) 2.459 10.379 ( -0.000 -0.000 7.098) 7.098 10.379 ( 0.000 0.000 7.098) 7.098 12.720 ( 0.000 0.000 -2.355) 2.355 12.720 ( 0.000 0.000 -2.355) 2.355 13.170 ( -0.000 -0.000 0.725) 0.725 13.170 ( 0.000 0.000 0.725) 0.725 13.683 ( 0.000 0.000 -13.823) 13.823 13.683 ( 0.000 0.000 -13.823) 13.823 13.964 ( 0.000 0.000 -1.535) 1.535 13.964 ( 0.000 0.000 -1.535) 1.535 15.523 ( -0.000 -0.000 0.203) 0.203 15.523 ( 0.000 0.000 0.203) 0.203 18.139 ( 0.000 0.000 5.418) 5.418 18.139 ( 0.000 0.000 5.418) 5.418 25.377 ( -0.000 -0.000 -0.278) 0.278 25.377 ( 0.000 0.000 -0.278) 0.278 25.499 ( 0.000 0.000 1.552) 1.552 25.499 ( 0.000 0.000 1.552) 1.552 25.914 ( 0.000 0.000 1.042) 1.042 25.914 ( 0.000 0.000 1.042) 1.042 26.062 ( 0.000 0.000 -0.453) 0.453 26.062 ( 0.000 0.000 -0.453) 0.453 29.667 ( 0.000 0.000 -3.677) 3.677 29.667 ( 0.000 0.000 -3.677) 3.677 ======================= Grid point 405 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 3.026 ( -0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.116 ( -0.000 -0.000 0.000) 0.000 3.606 ( -0.000 0.000 0.000) 0.000 3.606 ( -0.000 -0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.521 ( -0.000 -0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.499 ( -0.000 -0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 6.920 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 0.000) 0.000 7.757 ( -0.000 0.000 0.000) 0.000 8.280 ( -0.000 -0.000 0.000) 0.000 8.588 ( 0.000 -0.000 0.000) 0.000 9.090 ( 0.000 -0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.436 ( -0.000 -0.000 0.000) 0.000 9.436 ( -0.000 -0.000 0.000) 0.000 10.165 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 -0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.218 ( -0.000 -0.000 0.000) 0.000 12.057 ( 0.000 0.000 0.000) 0.000 12.057 ( -0.000 0.000 0.000) 0.000 12.344 ( 0.000 0.000 0.000) 0.000 13.903 ( -0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 14.729 ( 0.000 0.000 0.000) 0.000 15.667 ( -0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.761 ( 0.000 0.000 0.000) 0.000 17.000 ( 0.000 -0.000 0.000) 0.000 18.790 ( -0.000 -0.000 0.000) 0.000 25.056 ( 0.000 0.000 0.000) 0.000 25.072 ( 0.000 -0.000 0.000) 0.000 25.319 ( 0.000 0.000 0.000) 0.000 25.648 ( -0.000 -0.000 0.000) 0.000 26.156 ( 0.000 -0.000 0.000) 0.000 26.156 ( 0.000 0.000 0.000) 0.000 26.228 ( -0.000 -0.000 0.000) 0.000 26.228 ( 0.000 -0.000 0.000) 0.000 26.868 ( -0.000 -0.000 0.000) 0.000 30.077 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 407 (77/90) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 11.984 0.000 0.000) 11.984 2.479 ( 16.144 0.000 0.000) 16.144 3.130 ( 10.106 0.000 -0.000) 10.106 3.135 ( 1.560 0.000 0.000) 1.560 3.239 ( 10.780 0.000 -0.000) 10.780 3.376 ( 31.313 0.000 -0.000) 31.313 3.600 ( -0.394 0.000 0.000) 0.394 3.729 ( 10.330 0.000 0.000) 10.330 4.278 ( -7.033 0.000 0.000) 7.033 4.413 ( 7.440 0.000 0.000) 7.440 4.480 ( -2.268 0.000 -0.000) 2.268 5.498 ( -6.078 0.000 0.000) 6.078 5.684 ( 11.793 0.000 0.000) 11.793 6.106 ( -24.460 0.000 0.000) 24.460 6.376 ( -10.837 0.000 0.000) 10.837 6.734 ( 10.856 0.000 0.000) 10.856 6.837 ( -8.284 0.000 0.000) 8.284 7.030 ( 8.235 0.000 0.000) 8.235 7.503 ( -0.222 0.000 0.000) 0.222 7.569 ( 10.236 0.000 0.000) 10.236 7.630 ( 15.645 0.000 0.000) 15.645 7.740 ( -1.587 0.000 0.000) 1.587 8.224 ( -5.388 0.000 0.000) 5.388 8.435 ( -12.534 0.000 0.000) 12.534 9.062 ( -1.812 0.000 0.000) 1.812 9.239 ( -13.701 0.000 -0.000) 13.701 9.513 ( 7.782 0.000 0.000) 7.782 9.515 ( 9.180 0.000 0.000) 9.180 9.564 ( 11.903 0.000 0.000) 11.903 10.298 ( 11.469 0.000 0.000) 11.469 11.054 ( -7.107 0.000 0.000) 7.107 11.201 ( -1.708 0.000 0.000) 1.708 11.538 ( 28.666 0.000 0.000) 28.666 12.002 ( -5.094 0.000 0.000) 5.094 12.131 ( 7.286 0.000 0.000) 7.286 12.527 ( 18.121 0.000 0.000) 18.121 13.787 ( -10.958 0.000 0.000) 10.958 14.472 ( -24.928 0.000 0.000) 24.928 14.816 ( 7.878 0.000 0.000) 7.878 15.497 ( -16.743 0.000 -0.000) 16.743 15.645 ( -2.271 0.000 0.000) 2.271 15.711 ( -5.735 0.000 0.000) 5.735 17.149 ( 14.805 0.000 -0.000) 14.805 18.788 ( -0.555 0.000 0.000) 0.555 25.058 ( -0.538 0.000 0.000) 0.538 25.125 ( 6.665 0.000 0.000) 6.665 25.308 ( -0.756 0.000 0.000) 0.756 25.630 ( -2.324 0.000 0.000) 2.324 26.044 ( -10.428 0.000 0.000) 10.428 26.151 ( -0.912 0.000 0.000) 0.912 26.158 ( 0.258 0.000 0.000) 0.258 26.225 ( -0.288 0.000 0.000) 0.288 27.314 ( 36.110 0.000 0.000) 36.110 30.018 ( -5.858 0.000 0.000) 5.858 ======================= Grid point 409 (78/90) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 8.500 0.000 0.000) 8.500 3.030 ( 34.115 0.000 -0.000) 34.115 3.148 ( -1.093 0.000 0.000) 1.093 3.378 ( 14.544 0.000 0.000) 14.544 3.460 ( 10.568 0.000 0.000) 10.568 3.608 ( 1.701 0.000 0.000) 1.701 3.902 ( 7.480 0.000 -0.000) 7.480 3.906 ( 10.540 0.000 0.000) 10.540 4.174 ( 3.779 0.000 0.000) 3.779 4.497 ( 3.634 0.000 0.000) 3.634 4.670 ( 18.559 0.000 -0.000) 18.559 5.308 ( -13.886 0.000 0.000) 13.886 5.642 ( -20.002 0.000 0.000) 20.002 5.941 ( 13.125 0.000 0.000) 13.125 6.158 ( -10.099 0.000 0.000) 10.099 6.618 ( -13.805 0.000 0.000) 13.805 6.947 ( 11.024 0.000 0.000) 11.024 7.106 ( -0.465 0.000 0.000) 0.465 7.503 ( 0.411 0.000 0.000) 0.411 7.681 ( -2.331 0.000 0.000) 2.331 7.812 ( 12.148 0.000 0.000) 12.148 8.087 ( -8.359 0.000 0.000) 8.359 8.091 ( 8.716 0.000 -0.000) 8.716 8.306 ( 21.391 0.000 0.000) 21.391 8.934 ( -16.827 0.000 -0.000) 16.827 9.046 ( 0.474 0.000 0.000) 0.474 9.656 ( 5.134 0.000 0.000) 5.134 9.721 ( 13.325 0.000 0.000) 13.325 9.855 ( 17.336 0.000 0.000) 17.336 10.536 ( 11.980 0.000 0.000) 11.980 10.874 ( -10.926 0.000 0.000) 10.926 11.152 ( -3.405 0.000 0.000) 3.405 11.871 ( -8.252 0.000 0.000) 8.252 12.098 ( 23.400 0.000 0.000) 23.400 12.319 ( 11.844 0.000 -0.000) 11.844 13.000 ( 29.058 0.000 0.000) 29.058 13.524 ( -15.518 0.000 0.000) 15.518 13.875 ( -32.747 0.000 0.000) 32.747 14.992 ( 9.737 0.000 0.000) 9.737 15.082 ( -24.160 0.000 -0.000) 24.160 15.520 ( -14.215 0.000 0.000) 14.215 15.581 ( -4.376 0.000 0.000) 4.376 17.532 ( 23.439 0.000 -0.000) 23.439 18.749 ( -3.983 0.000 0.000) 3.983 25.093 ( 4.862 0.000 0.000) 4.862 25.239 ( 1.590 0.000 0.000) 1.590 25.353 ( 8.559 0.000 0.000) 8.559 25.550 ( -5.348 0.000 0.000) 5.348 25.921 ( -3.254 0.000 0.000) 3.254 26.093 ( -5.786 0.000 0.000) 5.786 26.165 ( 0.495 0.000 -0.000) 0.495 26.217 ( -0.537 0.000 0.000) 0.537 28.068 ( 39.507 0.000 0.000) 39.507 29.865 ( -9.707 0.000 -0.000) 9.707 ======================= Grid point 411 (79/90) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.725 ( 10.155 0.000 0.000) 10.155 3.075 ( -6.313 0.000 0.000) 6.313 3.568 ( 12.957 0.000 -0.000) 12.957 3.603 ( 4.539 0.000 0.000) 4.539 3.663 ( 3.208 0.000 0.000) 3.208 3.777 ( 32.886 0.000 0.000) 32.886 3.823 ( -8.381 0.000 -0.000) 8.381 4.102 ( 14.474 0.000 0.000) 14.474 4.377 ( 9.671 0.000 -0.000) 9.671 4.555 ( 1.070 0.000 -0.000) 1.070 4.795 ( -12.063 0.000 0.000) 12.063 4.952 ( -23.156 0.000 0.000) 23.156 5.600 ( 17.629 0.000 0.000) 17.629 6.034 ( -1.799 0.000 0.000) 1.799 6.112 ( 2.154 0.000 0.000) 2.154 6.336 ( -14.391 0.000 0.000) 14.391 7.085 ( 0.533 0.000 -0.000) 0.533 7.128 ( 6.272 0.000 0.000) 6.272 7.522 ( 1.612 0.000 0.000) 1.612 7.623 ( -3.193 0.000 0.000) 3.193 7.932 ( -6.384 0.000 0.000) 6.384 7.984 ( -6.717 0.000 0.000) 6.717 8.059 ( 13.105 0.000 0.000) 13.105 8.614 ( -16.041 0.000 -0.000) 16.041 9.003 ( 27.380 0.000 -0.000) 27.380 9.088 ( 3.838 0.000 0.000) 3.838 9.807 ( 16.531 0.000 0.000) 16.531 10.008 ( 15.820 0.000 0.000) 15.820 10.179 ( 13.887 0.000 0.000) 13.887 10.596 ( -12.045 0.000 0.000) 12.045 10.787 ( 8.127 0.000 0.000) 8.127 11.069 ( -5.237 0.000 0.000) 5.237 11.709 ( -6.773 0.000 0.000) 6.773 12.193 ( -17.336 0.000 0.000) 17.336 12.578 ( 14.774 0.000 -0.000) 14.774 13.207 ( -16.900 0.000 0.000) 16.900 13.475 ( -2.292 0.000 0.000) 2.292 13.535 ( 21.405 0.000 -0.000) 21.405 14.673 ( -13.600 0.000 -0.000) 13.600 15.169 ( -21.549 0.000 0.000) 21.549 15.177 ( 9.162 0.000 0.000) 9.162 15.478 ( -6.238 0.000 0.000) 6.238 17.991 ( 22.702 0.000 0.000) 22.702 18.621 ( -9.531 0.000 0.000) 9.531 25.231 ( 7.089 0.000 -0.000) 7.089 25.245 ( 0.465 0.000 0.000) 0.465 25.476 ( 0.161 0.000 0.000) 0.161 25.561 ( 10.889 0.000 0.000) 10.889 25.864 ( -3.675 0.000 -0.000) 3.675 25.917 ( -12.147 0.000 0.000) 12.147 26.177 ( 0.676 0.000 -0.000) 0.676 26.205 ( -0.704 0.000 0.000) 0.704 28.773 ( 32.387 0.000 0.000) 32.387 29.640 ( -14.026 0.000 -0.000) 14.026 ======================= Grid point 413 (80/90) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -9.483 0.000 0.000) 9.483 2.919 ( 9.483 0.000 0.000) 9.483 3.687 ( -5.326 0.000 0.000) 5.326 3.687 ( 5.326 0.000 0.000) 5.326 3.691 ( -1.472 0.000 0.000) 1.472 3.691 ( 1.472 0.000 0.000) 1.472 4.421 ( -31.349 0.000 0.000) 31.349 4.421 ( 31.349 0.000 0.000) 31.349 4.432 ( -16.636 0.000 0.000) 16.636 4.432 ( 16.636 0.000 0.000) 16.636 4.530 ( -1.614 0.000 0.000) 1.614 4.530 ( 1.614 0.000 0.000) 1.614 5.974 ( -15.641 0.000 0.000) 15.641 5.974 ( 15.641 0.000 0.000) 15.641 6.103 ( -8.649 0.000 0.000) 8.649 6.103 ( 8.649 0.000 0.000) 8.649 7.146 ( -3.656 0.000 0.000) 3.656 7.146 ( 3.656 0.000 0.000) 3.656 7.565 ( -2.707 0.000 0.000) 2.707 7.565 ( 2.707 0.000 0.000) 2.707 7.891 ( -2.234 0.000 0.000) 2.234 7.891 ( 2.234 0.000 0.000) 2.234 8.321 ( -14.245 0.000 0.000) 14.245 8.321 ( 14.245 0.000 0.000) 14.245 9.169 ( -2.734 0.000 0.000) 2.734 9.169 ( 2.734 0.000 0.000) 2.734 10.227 ( -13.756 0.000 0.000) 13.756 10.227 ( 13.756 0.000 0.000) 13.756 10.316 ( -15.710 0.000 0.000) 15.710 10.316 ( 15.710 0.000 0.000) 15.710 10.948 ( -7.426 0.000 0.000) 7.426 10.948 ( 7.426 0.000 0.000) 7.426 11.752 ( -15.807 0.000 0.000) 15.807 11.752 ( 15.807 0.000 0.000) 15.807 12.882 ( -16.528 0.000 0.000) 16.528 12.882 ( 16.528 0.000 0.000) 16.528 13.628 ( -9.461 0.000 0.000) 9.461 13.628 ( 9.461 0.000 0.000) 9.461 14.745 ( -18.902 0.000 0.000) 18.902 14.745 ( 18.902 0.000 0.000) 18.902 15.341 ( -7.853 0.000 0.000) 7.853 15.341 ( 7.853 0.000 0.000) 7.853 18.372 ( -16.351 0.000 0.000) 16.351 18.372 ( 16.351 0.000 0.000) 16.351 25.267 ( -1.422 0.000 0.000) 1.422 25.267 ( 1.422 0.000 0.000) 1.422 25.633 ( -12.239 0.000 0.000) 12.239 25.633 ( 12.239 0.000 0.000) 12.239 25.763 ( -5.975 0.000 0.000) 5.975 25.763 ( 5.975 0.000 0.000) 5.975 26.191 ( -0.753 0.000 0.000) 0.753 26.191 ( 0.753 0.000 0.000) 0.753 29.298 ( -22.053 0.000 0.000) 22.053 29.298 ( 22.053 0.000 0.000) 22.053 ======================= Grid point 425 (81/90) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 6.126 6.126 0.000) 8.663 2.624 ( 19.788 19.788 0.000) 27.985 3.237 ( 4.809 4.809 -0.000) 6.800 3.251 ( 4.953 4.953 0.000) 7.005 3.322 ( 13.923 13.923 -0.000) 19.690 3.609 ( 25.384 25.384 -0.000) 35.898 3.632 ( 1.972 1.972 0.000) 2.789 3.864 ( 12.918 12.918 0.000) 18.269 4.280 ( -3.614 -3.614 0.000) 5.111 4.393 ( 2.917 2.917 -0.000) 4.125 4.424 ( -3.878 -3.878 0.000) 5.484 5.574 ( 0.637 0.637 0.000) 0.900 5.675 ( 4.648 4.648 0.000) 6.573 5.862 ( -20.024 -20.024 0.000) 28.319 6.370 ( -4.930 -4.930 0.000) 6.972 6.759 ( 4.984 4.984 0.000) 7.049 6.911 ( -1.272 -1.272 0.000) 1.799 6.977 ( 1.126 1.126 -0.000) 1.592 7.522 ( 1.162 1.162 0.000) 1.643 7.681 ( 10.073 10.073 0.000) 14.245 7.692 ( 9.759 9.759 0.000) 13.801 7.724 ( -1.533 -1.533 0.000) 2.169 8.163 ( -5.923 -5.923 0.000) 8.377 8.313 ( -10.351 -10.351 0.000) 14.638 9.074 ( 0.947 0.947 0.000) 1.339 9.191 ( -6.539 -6.539 -0.000) 9.247 9.486 ( 2.417 2.417 0.000) 3.418 9.528 ( 2.618 2.618 -0.000) 3.703 9.750 ( 13.871 13.871 0.000) 19.616 10.416 ( 10.681 10.681 0.000) 15.105 11.053 ( -1.326 -1.326 0.000) 1.875 11.163 ( -3.236 -3.236 0.000) 4.576 11.801 ( -9.513 -9.513 0.000) 13.453 11.815 ( 24.440 24.440 0.000) 34.564 12.452 ( 18.162 18.162 0.000) 25.685 12.556 ( 7.410 7.410 0.000) 10.480 13.680 ( -10.062 -10.062 0.000) 14.230 14.381 ( -15.391 -15.391 0.000) 21.766 14.756 ( 0.036 0.036 0.000) 0.050 15.474 ( -9.704 -9.704 -0.000) 13.723 15.483 ( -8.596 -8.596 -0.000) 12.156 15.684 ( -3.441 -3.441 0.000) 4.866 17.255 ( 11.069 11.069 -0.000) 15.654 18.783 ( -0.849 -0.849 0.000) 1.200 25.042 ( -0.841 -0.841 0.000) 1.190 25.193 ( 6.604 6.604 0.000) 9.340 25.300 ( -0.656 -0.656 0.000) 0.928 25.610 ( -2.359 -2.359 0.000) 3.336 25.938 ( -5.446 -5.446 0.000) 7.702 26.064 ( -4.668 -4.668 0.000) 6.602 26.237 ( 3.337 3.337 0.000) 4.719 26.291 ( 2.352 2.352 0.000) 3.326 27.599 ( 26.993 26.993 0.000) 38.174 29.966 ( -5.046 -5.046 0.000) 7.136 ======================= Grid point 427 (82/90) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 8.321 8.920 0.000) 12.199 3.136 ( 30.626 10.226 0.000) 32.288 3.226 ( -2.522 7.158 -0.000) 7.589 3.437 ( 8.939 -1.840 0.000) 9.126 3.592 ( 14.015 19.119 -0.000) 23.706 3.708 ( 7.065 6.300 0.000) 9.466 4.045 ( 0.377 12.163 -0.000) 12.169 4.059 ( 4.498 16.695 0.000) 17.291 4.223 ( 11.825 7.090 0.000) 13.787 4.427 ( 4.967 -5.874 0.000) 7.693 4.619 ( 19.176 -3.838 -0.000) 19.556 5.422 ( -13.092 9.921 0.000) 16.426 5.460 ( -18.519 -15.552 0.000) 24.183 5.881 ( 11.226 -5.885 0.000) 12.675 6.225 ( -7.264 3.280 0.000) 7.970 6.706 ( -13.849 8.083 0.000) 16.035 6.917 ( 9.824 -0.630 -0.000) 9.844 7.044 ( -0.273 -6.575 0.000) 6.581 7.535 ( 0.597 2.455 0.000) 2.526 7.679 ( -2.896 -0.815 0.000) 3.009 7.905 ( 11.564 7.886 0.000) 13.997 8.008 ( 4.201 -6.804 0.000) 7.997 8.019 ( -7.833 -5.714 -0.000) 9.695 8.213 ( 16.638 -5.635 -0.000) 17.567 9.034 ( -6.327 7.692 -0.000) 9.960 9.096 ( 1.566 5.070 0.000) 5.306 9.588 ( 2.753 -5.884 -0.000) 6.496 9.625 ( 11.642 -4.454 0.000) 12.465 10.056 ( 16.853 14.979 0.000) 22.548 10.648 ( 12.027 10.214 0.000) 15.779 10.946 ( -10.423 6.253 0.000) 12.155 11.080 ( -5.535 -6.465 0.000) 8.511 11.693 ( -1.813 -13.531 0.000) 13.652 12.296 ( 20.698 17.293 0.000) 26.972 12.560 ( 3.720 18.989 -0.000) 19.350 13.036 ( 30.734 4.923 0.000) 31.126 13.437 ( -14.539 -7.504 0.000) 16.361 13.890 ( -29.723 -0.477 0.000) 29.727 14.855 ( 7.544 -12.512 -0.000) 14.610 15.072 ( -23.544 -1.265 -0.000) 23.578 15.425 ( -3.654 -15.079 -0.000) 15.515 15.548 ( -11.044 2.225 0.000) 11.266 17.565 ( 20.164 3.908 -0.000) 20.539 18.737 ( -4.392 -1.503 0.000) 4.642 25.067 ( 4.185 -1.844 0.000) 4.573 25.271 ( -0.386 2.294 0.000) 2.326 25.379 ( 10.364 3.569 0.000) 10.961 25.542 ( -4.138 -0.837 0.000) 4.221 25.882 ( -1.211 -1.772 0.000) 2.146 25.965 ( -6.024 -7.956 0.000) 9.979 26.270 ( 0.050 5.208 0.000) 5.208 26.295 ( -1.255 4.659 0.000) 4.825 28.225 ( 34.749 15.779 0.000) 38.164 29.835 ( -8.326 -2.862 -0.000) 8.804 ======================= Grid point 429 (83/90) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 9.522 8.756 0.000) 12.936 3.141 ( -6.108 6.377 0.000) 8.830 3.566 ( 5.010 -1.380 0.000) 5.197 3.669 ( 14.855 -3.070 -0.000) 15.169 3.836 ( 10.024 22.387 -0.000) 24.529 3.881 ( 7.804 14.441 0.000) 16.415 3.971 ( 7.432 7.917 -0.000) 10.858 4.136 ( 7.640 3.941 0.000) 8.597 4.478 ( 11.175 11.403 0.000) 15.966 4.514 ( 1.406 0.019 0.000) 1.406 4.757 ( -11.909 -3.406 0.000) 12.387 5.092 ( -20.501 11.960 0.000) 23.735 5.408 ( 15.535 -14.342 -0.000) 21.143 5.975 ( -4.542 -10.438 0.000) 11.383 6.169 ( 2.625 8.103 0.000) 8.517 6.471 ( -8.952 9.826 0.000) 13.293 7.011 ( -0.463 -6.816 -0.000) 6.832 7.078 ( 4.997 -2.717 0.000) 5.688 7.555 ( 1.530 1.976 0.000) 2.499 7.621 ( -2.574 -0.847 0.000) 2.710 7.852 ( -6.464 -8.094 0.000) 10.359 7.898 ( -6.686 -7.996 0.000) 10.424 8.149 ( 11.654 8.889 0.000) 14.657 8.506 ( -1.516 -5.328 -0.000) 5.540 9.148 ( 3.995 6.371 -0.000) 7.520 9.161 ( 15.290 12.137 0.000) 19.522 9.712 ( 16.637 -8.488 0.000) 18.678 9.913 ( 17.473 -5.945 0.000) 18.457 10.339 ( 9.494 11.892 0.000) 15.217 10.663 ( -17.313 4.907 0.000) 17.994 10.844 ( 6.591 5.943 0.000) 8.875 10.951 ( -7.042 -9.700 0.000) 11.987 11.720 ( 5.328 -0.089 0.000) 5.328 12.401 ( -14.335 16.990 0.000) 22.230 12.672 ( 8.055 9.796 -0.000) 12.683 13.132 ( -15.423 -5.181 0.000) 16.270 13.515 ( -3.203 2.489 0.000) 4.056 13.574 ( 20.048 4.358 -0.000) 20.517 14.684 ( -11.902 0.469 -0.000) 11.912 14.976 ( 2.022 -15.937 -0.000) 16.065 15.282 ( -13.487 7.182 0.000) 15.280 15.339 ( -5.136 -13.044 -0.000) 14.018 17.980 ( 21.383 -0.809 0.000) 21.398 18.601 ( -9.880 -2.160 0.000) 10.113 25.198 ( 8.051 -2.607 0.000) 8.463 25.268 ( 0.394 2.218 0.000) 2.253 25.480 ( -0.850 0.517 0.000) 0.994 25.589 ( 10.412 2.986 0.000) 10.832 25.810 ( -10.304 -8.078 -0.000) 13.093 25.851 ( -2.748 -0.164 0.000) 2.753 26.253 ( -1.128 4.628 0.000) 4.763 26.264 ( -1.559 3.777 0.000) 4.086 28.858 ( 29.453 8.703 0.000) 30.712 29.641 ( -12.307 0.189 -0.000) 12.309 ======================= Grid point 431 (84/90) ======================= q-point: (-0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( -8.589 7.553 0.000) 11.438 2.997 ( 8.589 7.553 0.000) 11.438 3.660 ( -5.070 -1.209 0.000) 5.212 3.660 ( 5.070 -1.209 0.000) 5.212 3.936 ( -1.462 18.804 -0.000) 18.860 3.936 ( 1.462 18.804 0.000) 18.860 4.329 ( -5.829 -4.710 0.000) 7.494 4.329 ( 5.829 -4.710 0.000) 7.494 4.459 ( -5.862 4.162 0.000) 7.189 4.459 ( 5.862 4.162 0.000) 7.189 4.711 ( -15.114 14.117 0.000) 20.682 4.711 ( 15.114 14.117 0.000) 20.682 5.744 ( -16.308 -13.865 -0.000) 21.405 5.744 ( 16.308 -13.865 0.000) 21.405 6.306 ( -9.366 10.424 0.000) 14.014 6.306 ( 9.366 10.424 0.000) 14.014 7.069 ( -4.604 -5.787 0.000) 7.395 7.069 ( 4.604 -5.787 0.000) 7.395 7.587 ( -1.528 0.858 0.000) 1.752 7.587 ( 1.528 0.858 0.000) 1.752 7.805 ( -2.001 -8.123 0.000) 8.366 7.805 ( 2.001 -8.123 0.000) 8.366 8.360 ( -10.093 4.771 0.000) 11.164 8.360 ( 10.093 4.771 0.000) 11.164 9.234 ( -3.673 6.428 0.000) 7.404 9.234 ( 3.673 6.428 0.000) 7.404 10.181 ( -12.675 -3.514 0.000) 13.153 10.181 ( 12.675 -3.514 0.000) 13.153 10.324 ( -9.627 -1.393 0.000) 9.728 10.324 ( 9.627 -1.393 0.000) 9.728 10.891 ( -0.561 -1.704 0.000) 1.794 10.891 ( 0.561 -1.704 0.000) 1.794 11.967 ( -21.243 16.530 0.000) 26.917 11.967 ( 21.243 16.530 0.000) 26.917 12.869 ( -12.132 0.142 0.000) 12.133 12.869 ( 12.132 0.142 0.000) 12.133 13.645 ( -9.175 1.629 0.000) 9.319 13.645 ( 9.175 1.629 0.000) 9.319 14.769 ( -16.795 0.053 0.000) 16.795 14.769 ( 16.795 0.053 0.000) 16.795 15.235 ( -4.924 -8.265 0.000) 9.621 15.235 ( 4.924 -8.265 -0.000) 9.621 18.349 ( -16.259 -2.309 0.000) 16.422 18.349 ( 16.259 -2.309 0.000) 16.422 25.280 ( -0.090 1.198 0.000) 1.202 25.280 ( 0.090 1.198 0.000) 1.202 25.586 ( -11.192 -4.399 0.000) 12.026 25.586 ( 11.192 -4.399 0.000) 12.026 25.760 ( -6.873 1.165 0.000) 6.971 25.760 ( 6.873 1.165 0.000) 6.971 26.244 ( -0.358 3.377 0.000) 3.396 26.244 ( 0.358 3.377 0.000) 3.396 29.335 ( -19.938 3.894 0.000) 20.315 29.335 ( 19.938 3.894 0.000) 20.315 ======================= Grid point 445 (85/90) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 10.294 10.294 0.000) 14.558 3.346 ( 0.527 0.527 0.000) 0.745 3.398 ( 15.728 15.728 0.000) 22.243 3.433 ( 5.237 5.237 -0.000) 7.407 3.828 ( 7.419 7.419 0.000) 10.491 3.964 ( 18.081 18.081 -0.000) 25.570 4.115 ( -4.093 -4.093 0.000) 5.788 4.267 ( -4.406 -4.406 -0.000) 6.231 4.471 ( 16.416 16.416 0.000) 23.215 4.593 ( 20.275 20.275 0.000) 28.673 4.629 ( 10.731 10.731 -0.000) 15.176 5.139 ( -15.218 -15.218 0.000) 21.522 5.564 ( -1.697 -1.697 -0.000) 2.400 5.765 ( -1.708 -1.708 0.000) 2.415 6.223 ( -2.027 -2.027 0.000) 2.866 6.843 ( -0.894 -0.894 -0.000) 1.264 6.852 ( -7.905 -7.905 -0.000) 11.180 6.989 ( 7.388 7.388 0.000) 10.449 7.550 ( -0.823 -0.823 0.000) 1.164 7.648 ( -2.327 -2.327 0.000) 3.291 7.812 ( -11.135 -11.135 -0.000) 15.747 7.869 ( -7.795 -7.795 0.000) 11.024 8.146 ( 12.379 12.379 0.000) 17.507 8.292 ( 15.688 15.688 0.000) 22.186 9.168 ( 6.894 6.894 -0.000) 9.750 9.228 ( 7.674 7.674 0.000) 10.853 9.491 ( -2.791 -2.791 -0.000) 3.947 9.605 ( 3.537 3.537 0.000) 5.002 10.366 ( 15.939 15.939 -0.000) 22.541 10.843 ( 7.150 7.150 0.000) 10.112 10.925 ( -9.574 -9.574 0.000) 13.540 11.032 ( -1.714 -1.714 0.000) 2.424 11.489 ( -1.749 -1.749 0.000) 2.474 12.613 ( 11.831 11.831 0.000) 16.731 12.838 ( 6.857 6.857 0.000) 9.698 13.293 ( -6.214 -6.214 -0.000) 8.787 13.300 ( 22.965 22.965 0.000) 32.477 13.754 ( -14.975 -14.975 0.000) 21.178 14.635 ( -6.880 -6.880 -0.000) 9.730 14.954 ( -16.789 -16.789 -0.000) 23.743 15.137 ( -6.751 -6.751 -0.000) 9.547 15.561 ( -2.189 -2.189 0.000) 3.095 17.707 ( 11.157 11.157 -0.000) 15.779 18.676 ( -5.115 -5.115 0.000) 7.234 25.065 ( 2.458 2.458 0.000) 3.476 25.300 ( 1.056 1.056 0.000) 1.493 25.505 ( 8.584 8.584 0.000) 12.140 25.520 ( -1.313 -1.313 0.000) 1.857 25.815 ( -7.689 -7.689 0.000) 10.874 25.876 ( 0.516 0.516 0.000) 0.730 26.322 ( 0.046 0.046 0.000) 0.065 26.329 ( -1.122 -1.122 0.000) 1.586 28.630 ( 24.308 24.308 0.000) 34.377 29.763 ( -4.558 -4.558 -0.000) 6.446 ======================= Grid point 447 (86/90) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.027 ( 9.340 12.079 0.000) 15.269 3.291 ( -4.286 8.113 0.000) 9.176 3.561 ( 5.683 1.309 0.000) 5.832 3.650 ( 7.013 1.144 -0.000) 7.105 4.023 ( 12.680 1.242 -0.000) 12.741 4.024 ( -1.699 -0.971 0.000) 1.957 4.170 ( -4.268 -1.305 -0.000) 4.463 4.309 ( 17.684 21.529 -0.000) 27.861 4.684 ( -14.011 -4.436 0.000) 14.697 4.717 ( 7.206 17.869 0.000) 19.267 4.823 ( 12.287 21.450 -0.000) 24.720 5.181 ( 16.799 -6.278 -0.000) 17.934 5.331 ( -17.159 11.002 -0.000) 20.383 5.755 ( -6.060 -12.102 -0.000) 13.534 6.236 ( 4.885 -0.811 0.000) 4.952 6.606 ( -11.099 0.444 -0.000) 11.108 6.883 ( 2.604 -3.577 -0.000) 4.425 7.114 ( 2.225 6.871 0.000) 7.223 7.546 ( 0.837 -2.826 0.000) 2.947 7.575 ( -4.684 -5.896 -0.000) 7.530 7.640 ( -4.382 -11.065 0.000) 11.901 7.723 ( -7.041 -8.838 0.000) 11.300 8.377 ( 10.826 13.896 0.000) 17.615 8.571 ( 6.130 13.053 -0.000) 14.421 9.343 ( 3.966 14.200 -0.000) 14.744 9.386 ( 8.446 10.199 0.000) 13.242 9.547 ( 18.113 -6.529 0.000) 19.253 9.812 ( 17.882 -4.545 0.000) 18.450 10.540 ( -7.559 5.788 0.000) 9.521 10.715 ( -21.034 0.377 0.000) 21.037 10.776 ( 1.928 -6.544 0.000) 6.822 10.959 ( -0.813 1.362 0.000) 1.586 11.729 ( 22.126 4.779 -0.000) 22.636 12.642 ( -10.604 4.808 0.000) 11.643 12.905 ( 1.968 11.746 0.000) 11.910 13.137 ( -13.415 7.990 0.000) 15.615 13.520 ( 0.234 -3.280 0.000) 3.288 13.713 ( 13.000 9.902 0.000) 16.342 14.592 ( 0.173 -21.498 -0.000) 21.499 14.603 ( -12.218 -13.166 0.000) 17.962 15.112 ( 1.883 -4.545 -0.000) 4.920 15.439 ( -10.161 7.735 0.000) 12.770 17.981 ( 16.226 1.579 0.000) 16.303 18.531 ( -10.054 -5.253 0.000) 11.343 25.169 ( 7.887 0.454 0.000) 7.900 25.323 ( 1.179 3.386 0.000) 3.585 25.494 ( -1.161 0.818 0.000) 1.420 25.637 ( -3.643 -4.584 0.000) 5.855 25.697 ( 3.473 3.045 0.000) 4.619 25.874 ( -1.296 2.112 0.000) 2.478 26.283 ( -2.694 -2.365 0.000) 3.585 26.288 ( -2.726 -1.520 0.000) 3.121 29.091 ( 21.963 14.524 0.000) 26.331 29.650 ( -7.632 0.702 -0.000) 7.664 ======================= Grid point 449 (87/90) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.186 ( -6.853 11.401 0.000) 13.302 3.186 ( 6.853 11.401 0.000) 13.302 3.651 ( -3.817 0.565 0.000) 3.858 3.651 ( 3.817 0.565 0.000) 3.858 4.074 ( -4.400 -5.559 0.000) 7.089 4.074 ( 4.400 -5.559 0.000) 7.089 4.321 ( -15.490 2.267 0.000) 15.655 4.321 ( 15.490 2.267 0.000) 15.655 4.689 ( -11.371 18.072 0.000) 21.352 4.689 ( 11.371 18.072 0.000) 21.352 5.032 ( -11.234 17.934 -0.000) 21.162 5.032 ( 11.234 17.934 0.000) 21.162 5.508 ( -16.740 -9.937 -0.000) 19.467 5.508 ( 16.740 -9.937 0.000) 19.467 6.400 ( -10.567 -1.377 0.000) 10.656 6.400 ( 10.567 -1.377 0.000) 10.656 7.014 ( -9.538 0.920 0.000) 9.582 7.014 ( 9.538 0.920 0.000) 9.582 7.569 ( -0.088 -2.389 0.000) 2.390 7.569 ( 0.088 -2.389 -0.000) 2.390 7.607 ( -3.079 -11.130 0.000) 11.548 7.607 ( 3.079 -11.130 -0.000) 11.548 8.545 ( -6.161 14.391 0.000) 15.654 8.545 ( 6.161 14.391 0.000) 15.654 9.399 ( -1.990 10.426 0.000) 10.614 9.399 ( 1.990 10.426 0.000) 10.614 10.105 ( -25.568 -4.265 0.000) 25.922 10.105 ( 25.568 -4.265 0.000) 25.922 10.260 ( -20.509 -3.667 0.000) 20.834 10.260 ( 20.509 -3.667 0.000) 20.834 10.901 ( -5.642 -0.517 0.000) 5.666 10.901 ( 5.642 -0.517 0.000) 5.666 12.228 ( -27.505 10.473 0.000) 29.431 12.228 ( 27.505 10.473 0.000) 29.431 12.955 ( -4.403 8.633 0.000) 9.691 12.955 ( 4.403 8.633 0.000) 9.691 13.681 ( -11.060 1.793 0.000) 11.204 13.681 ( 11.060 1.793 0.000) 11.204 14.568 ( -3.244 -21.290 0.000) 21.536 14.568 ( 3.244 -21.290 0.000) 21.536 15.223 ( -9.906 8.130 0.000) 12.815 15.223 ( 9.906 8.130 0.000) 12.815 18.289 ( -14.748 -3.655 0.000) 15.194 18.289 ( 14.748 -3.655 0.000) 15.194 25.311 ( -4.251 2.124 0.000) 4.752 25.311 ( 4.251 2.124 0.000) 4.752 25.508 ( -4.312 -2.906 0.000) 5.200 25.508 ( 4.312 -2.906 0.000) 5.200 25.814 ( -4.941 3.996 0.000) 6.354 25.814 ( 4.941 3.996 0.000) 6.354 26.254 ( -0.164 -3.023 0.000) 3.027 26.254 ( 0.164 -3.023 0.000) 3.027 29.444 ( -14.303 6.908 0.000) 15.884 29.444 ( 14.303 6.908 0.000) 15.884 ======================= Grid point 465 (88/90) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( 11.152 11.152 0.000) 15.772 3.413 ( 3.907 3.907 0.000) 5.525 3.621 ( 4.013 4.013 0.000) 5.676 3.686 ( 1.466 1.466 -0.000) 2.073 3.948 ( -5.025 -5.025 -0.000) 7.106 3.965 ( -5.291 -5.291 0.000) 7.483 4.200 ( 4.923 4.923 0.000) 6.963 4.542 ( -9.786 -9.786 0.000) 13.839 4.687 ( 18.029 18.029 0.000) 25.496 5.006 ( 9.723 9.723 0.000) 13.750 5.135 ( 11.522 11.522 -0.000) 16.294 5.242 ( 8.224 8.224 0.000) 11.631 5.428 ( -4.224 -4.224 0.000) 5.973 5.536 ( -8.248 -8.248 -0.000) 11.665 6.224 ( 1.835 1.835 0.000) 2.595 6.485 ( -8.795 -8.795 -0.000) 12.438 6.891 ( 2.675 2.675 -0.000) 3.783 7.288 ( 6.835 6.835 0.000) 9.666 7.305 ( -13.712 -13.712 0.000) 19.392 7.500 ( -0.913 -0.913 -0.000) 1.291 7.556 ( -2.232 -2.232 0.000) 3.156 7.581 ( -6.106 -6.106 0.000) 8.635 8.645 ( 12.771 12.771 0.000) 18.061 8.855 ( 8.838 8.838 0.000) 12.498 9.539 ( 8.685 8.685 -0.000) 12.282 9.589 ( 12.240 12.240 -0.000) 17.310 9.700 ( 16.447 16.447 0.000) 23.259 9.743 ( 3.522 3.522 0.000) 4.980 10.434 ( -14.825 -14.825 0.000) 20.966 10.657 ( -11.012 -11.012 0.000) 15.573 10.755 ( 0.905 0.905 -0.000) 1.280 10.814 ( -9.778 -9.778 0.000) 13.828 12.010 ( 22.577 22.577 0.000) 31.929 12.662 ( -1.281 -1.281 0.000) 1.812 13.062 ( 4.494 4.494 0.000) 6.355 13.316 ( -7.375 -7.375 -0.000) 10.430 13.387 ( 6.012 6.012 0.000) 8.502 13.899 ( 5.543 5.543 0.000) 7.838 14.207 ( -21.371 -21.371 0.000) 30.223 14.257 ( -11.421 -11.421 0.000) 16.151 15.205 ( 10.743 10.743 0.000) 15.193 15.524 ( -0.112 -0.112 0.000) 0.158 18.060 ( 6.627 6.627 0.000) 9.373 18.398 ( -8.313 -8.313 0.000) 11.756 25.228 ( 5.442 5.442 0.000) 7.696 25.397 ( 3.841 3.841 0.000) 5.432 25.506 ( 0.203 0.203 0.000) 0.287 25.511 ( -6.411 -6.411 0.000) 9.066 25.808 ( 5.719 5.719 0.000) 8.088 25.908 ( 0.796 0.796 0.000) 1.126 26.198 ( -5.056 -5.056 0.000) 7.150 26.211 ( -5.228 -5.228 0.000) 7.394 29.372 ( 13.344 13.344 0.000) 18.872 29.651 ( -1.332 -1.332 -0.000) 1.883 ======================= Grid point 467 (89/90) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( -4.235 12.455 0.000) 13.155 3.419 ( 4.235 12.455 0.000) 13.155 3.678 ( -1.936 1.742 0.000) 2.604 3.678 ( 1.936 1.742 0.000) 2.604 3.899 ( -0.597 -11.053 0.000) 11.069 3.899 ( 0.597 -11.053 0.000) 11.069 4.344 ( -9.574 0.330 0.000) 9.580 4.344 ( 9.574 0.330 0.000) 9.580 4.998 ( -11.704 12.478 0.000) 17.108 4.998 ( 11.704 12.478 0.000) 17.108 5.314 ( -2.709 9.266 0.000) 9.654 5.314 ( 2.709 9.266 0.000) 9.654 5.372 ( -10.652 -4.193 -0.000) 11.448 5.372 ( 10.652 -4.193 0.000) 11.448 6.326 ( -7.622 -3.601 0.000) 8.429 6.326 ( 7.622 -3.601 0.000) 8.429 7.019 ( -11.435 -2.877 0.000) 11.792 7.019 ( 11.435 -2.877 0.000) 11.792 7.451 ( -6.718 -3.060 -0.000) 7.382 7.451 ( 6.718 -3.060 0.000) 7.382 7.521 ( -1.243 -2.427 0.000) 2.727 7.521 ( 1.243 -2.427 -0.000) 2.727 8.842 ( -7.051 13.092 0.000) 14.870 8.842 ( 7.051 13.092 0.000) 14.870 9.654 ( -4.340 16.431 0.000) 16.995 9.654 ( 4.340 16.431 0.000) 16.995 10.027 ( -25.948 -3.629 0.000) 26.201 10.027 ( 25.948 -3.629 0.000) 26.201 10.226 ( -27.559 1.015 0.000) 27.577 10.226 ( 27.559 1.015 0.000) 27.577 10.756 ( -0.046 -15.098 0.000) 15.098 10.756 ( 0.046 -15.098 0.000) 15.098 12.470 ( -20.750 15.688 0.000) 26.013 12.470 ( 20.750 15.688 0.000) 26.013 13.120 ( -4.134 6.462 0.000) 7.672 13.120 ( 4.134 6.462 0.000) 7.672 13.676 ( -18.898 -4.495 0.000) 19.425 13.676 ( 18.898 -4.495 0.000) 19.425 14.118 ( -4.795 -19.870 0.000) 20.440 14.118 ( 4.795 -19.870 0.000) 20.440 15.422 ( -9.726 9.680 0.000) 13.722 15.422 ( 9.726 9.680 0.000) 13.722 18.222 ( -9.445 -2.901 0.000) 9.881 18.222 ( 9.445 -2.901 0.000) 9.881 25.357 ( -6.983 2.006 0.000) 7.265 25.357 ( 6.983 2.006 0.000) 7.265 25.488 ( -2.328 0.947 0.000) 2.513 25.488 ( 2.328 0.947 0.000) 2.513 25.891 ( -2.634 3.308 -0.000) 4.229 25.891 ( 2.634 3.308 0.000) 4.229 26.144 ( -0.480 -7.042 0.000) 7.059 26.144 ( 0.480 -7.042 0.000) 7.059 29.573 ( -7.163 5.608 0.000) 9.097 29.573 ( 7.163 5.608 0.000) 9.097 ======================= Grid point 493 (90/90) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.86e-04 2.86e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.631 ( -0.000 -0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 -0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.705 ( -0.000 -0.000 -0.000) 0.000 3.705 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.331 ( -0.000 -0.000 0.000) 0.000 5.331 ( 0.000 0.000 -0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.297 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 9.942 ( -0.000 -0.000 0.000) 0.000 9.942 ( -0.000 -0.000 0.000) 0.000 10.332 ( -0.000 -0.000 0.000) 0.000 10.332 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 -0.000) 0.000 13.177 ( -0.000 -0.000 0.000) 0.000 13.177 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 18.192 ( 0.000 0.000 0.000) 0.000 18.192 ( 0.000 0.000 0.000) 0.000 25.374 ( 0.000 0.000 0.000) 0.000 25.374 ( 0.000 0.000 0.000) 0.000 25.513 ( 0.000 0.000 0.000) 0.000 25.513 ( 0.000 0.000 0.000) 0.000 25.925 ( 0.000 0.000 -0.000) 0.000 25.925 ( 0.000 0.000 0.000) 0.000 26.058 ( 0.000 0.000 -0.000) 0.000 26.058 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/34560 10.0 2858.864 2858.864 2590.168 -0.000 -0.000 0.000 3/34560 20.0 506.127 506.127 374.689 -0.000 -0.000 0.000 3/34560 30.0 156.388 156.388 121.782 -0.000 -0.000 0.000 3/34560 40.0 75.934 75.934 59.790 -0.000 -0.000 0.000 3/34560 50.0 46.528 46.528 36.236 -0.000 -0.000 0.000 3/34560 60.0 32.399 32.399 24.821 -0.000 -0.000 0.000 3/34560 70.0 24.464 24.464 18.424 -0.000 -0.000 0.000 3/34560 80.0 19.533 19.533 14.467 -0.000 -0.000 0.000 3/34560 90.0 16.243 16.243 11.838 -0.000 -0.000 0.000 3/34560 100.0 13.928 13.928 9.993 -0.000 -0.000 0.000 3/34560 110.0 12.227 12.227 8.641 -0.000 -0.000 0.000 3/34560 120.0 10.933 10.933 7.614 -0.000 -0.000 0.000 3/34560 130.0 9.918 9.918 6.813 -0.000 -0.000 0.000 3/34560 140.0 9.101 9.101 6.171 -0.000 -0.000 0.000 3/34560 150.0 8.428 8.428 5.646 -0.000 -0.000 0.000 3/34560 160.0 7.863 7.863 5.209 -0.000 -0.000 0.000 3/34560 170.0 7.380 7.380 4.840 -0.000 -0.000 0.000 3/34560 180.0 6.961 6.961 4.524 -0.000 -0.000 0.000 3/34560 190.0 6.594 6.594 4.250 -0.000 -0.000 0.000 3/34560 200.0 6.269 6.269 4.010 -0.000 -0.000 0.000 3/34560 210.0 5.977 5.977 3.798 0.000 -0.000 0.000 3/34560 220.0 5.715 5.715 3.608 0.000 -0.000 0.000 3/34560 230.0 5.477 5.477 3.439 0.000 -0.000 0.000 3/34560 240.0 5.259 5.259 3.285 0.000 -0.000 0.000 3/34560 250.0 5.060 5.060 3.146 0.000 -0.000 0.000 3/34560 260.0 4.876 4.876 3.018 0.000 -0.000 0.000 3/34560 270.0 4.706 4.706 2.902 0.000 -0.000 0.000 3/34560 280.0 4.548 4.548 2.794 0.000 -0.000 0.000 3/34560 290.0 4.401 4.401 2.695 0.000 -0.000 0.000 3/34560 300.0 4.264 4.264 2.603 0.000 -0.000 0.000 3/34560 310.0 4.136 4.136 2.517 0.000 -0.000 0.000 3/34560 320.0 4.015 4.015 2.437 0.000 -0.000 0.000 3/34560 330.0 3.901 3.901 2.362 0.000 -0.000 0.000 3/34560 340.0 3.794 3.794 2.292 0.000 -0.000 0.000 3/34560 350.0 3.693 3.693 2.226 0.000 -0.000 0.000 3/34560 360.0 3.598 3.598 2.164 0.000 -0.000 0.000 3/34560 370.0 3.507 3.507 2.105 0.000 -0.000 0.000 3/34560 380.0 3.421 3.421 2.050 0.000 -0.000 0.000 3/34560 390.0 3.339 3.339 1.997 0.000 -0.000 0.000 3/34560 400.0 3.261 3.261 1.947 0.000 -0.000 0.000 3/34560 410.0 3.187 3.187 1.900 0.000 -0.000 0.000 3/34560 420.0 3.116 3.116 1.855 0.000 -0.000 0.000 3/34560 430.0 3.048 3.048 1.812 0.000 -0.000 0.000 3/34560 440.0 2.983 2.983 1.771 0.000 -0.000 0.000 3/34560 450.0 2.921 2.921 1.732 0.000 -0.000 0.000 3/34560 460.0 2.861 2.861 1.695 0.000 -0.000 0.000 3/34560 470.0 2.804 2.804 1.659 0.000 -0.000 0.000 3/34560 480.0 2.749 2.749 1.625 0.000 -0.000 0.000 3/34560 490.0 2.696 2.696 1.592 0.000 -0.000 0.000 3/34560 500.0 2.645 2.645 1.560 0.000 -0.000 0.000 3/34560 510.0 2.596 2.596 1.530 0.000 -0.000 0.000 3/34560 520.0 2.549 2.549 1.501 -0.000 -0.000 0.000 3/34560 530.0 2.504 2.504 1.473 -0.000 -0.000 0.000 3/34560 540.0 2.460 2.460 1.446 -0.000 -0.000 0.000 3/34560 550.0 2.418 2.418 1.420 -0.000 -0.000 0.000 3/34560 560.0 2.377 2.377 1.395 -0.000 -0.000 0.000 3/34560 570.0 2.337 2.337 1.371 -0.000 -0.000 0.000 3/34560 580.0 2.299 2.299 1.347 -0.000 -0.000 0.000 3/34560 590.0 2.262 2.262 1.325 -0.000 -0.000 0.000 3/34560 600.0 2.226 2.226 1.303 -0.000 -0.000 0.000 3/34560 610.0 2.191 2.191 1.282 -0.000 -0.000 0.000 3/34560 620.0 2.157 2.157 1.261 -0.000 -0.000 0.000 3/34560 630.0 2.125 2.125 1.242 -0.000 -0.000 0.000 3/34560 640.0 2.093 2.093 1.222 -0.000 -0.000 0.000 3/34560 650.0 2.062 2.062 1.204 -0.000 -0.000 0.000 3/34560 660.0 2.032 2.032 1.186 -0.000 -0.000 0.000 3/34560 670.0 2.003 2.003 1.168 -0.000 -0.000 0.000 3/34560 680.0 1.975 1.975 1.151 -0.000 -0.000 0.000 3/34560 690.0 1.948 1.948 1.135 -0.000 -0.000 0.000 3/34560 700.0 1.921 1.921 1.119 -0.000 -0.000 0.000 3/34560 710.0 1.895 1.895 1.103 -0.000 -0.000 0.000 3/34560 720.0 1.870 1.870 1.088 -0.000 -0.000 0.000 3/34560 730.0 1.845 1.845 1.073 -0.000 -0.000 0.000 3/34560 740.0 1.821 1.821 1.059 -0.000 -0.000 0.000 3/34560 750.0 1.798 1.798 1.045 -0.000 -0.000 0.000 3/34560 760.0 1.775 1.775 1.031 -0.000 -0.000 0.000 3/34560 770.0 1.753 1.753 1.018 -0.000 -0.000 0.000 3/34560 780.0 1.731 1.731 1.005 -0.000 -0.000 0.000 3/34560 790.0 1.710 1.710 0.993 -0.000 -0.000 0.000 3/34560 800.0 1.689 1.689 0.980 -0.000 -0.000 0.000 3/34560 810.0 1.669 1.669 0.968 -0.000 -0.000 0.000 3/34560 820.0 1.649 1.649 0.957 -0.000 -0.000 0.000 3/34560 830.0 1.630 1.630 0.945 -0.000 -0.000 0.000 3/34560 840.0 1.611 1.611 0.934 -0.000 -0.000 0.000 3/34560 850.0 1.593 1.593 0.923 -0.000 -0.000 0.000 3/34560 860.0 1.575 1.575 0.912 -0.000 -0.000 0.000 3/34560 870.0 1.557 1.557 0.902 -0.000 -0.000 0.000 3/34560 880.0 1.540 1.540 0.892 -0.000 -0.000 0.000 3/34560 890.0 1.523 1.523 0.882 -0.000 -0.000 0.000 3/34560 900.0 1.507 1.507 0.872 -0.000 -0.000 0.000 3/34560 910.0 1.491 1.491 0.863 -0.000 -0.000 0.000 3/34560 920.0 1.475 1.475 0.853 -0.000 -0.000 0.000 3/34560 930.0 1.459 1.459 0.844 -0.000 -0.000 0.000 3/34560 940.0 1.444 1.444 0.835 -0.000 -0.000 0.000 3/34560 950.0 1.430 1.430 0.827 -0.000 -0.000 0.000 3/34560 960.0 1.415 1.415 0.818 -0.000 -0.000 0.000 3/34560 970.0 1.401 1.401 0.810 -0.000 -0.000 0.000 3/34560 980.0 1.387 1.387 0.802 -0.000 -0.000 0.000 3/34560 990.0 1.373 1.373 0.794 -0.000 -0.000 0.000 3/34560 1000.0 1.360 1.360 0.786 -0.000 -0.000 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m8810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:23:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|