# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/98051952-328f-4463-98d2-e2622e89b4b2/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for TaAlO4 / Pbcn (60) / materials id 8898](https://mdr.nims.go.jp/datasets/3b1d94e6-cbe0-4de9-92b1-9b2fd862dbb9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:04:48]-------------------------Compiled with OpenMP support (max 48 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)Number of symmetry operations in supercell: 48------------------------------ primitive cell ------------------------------Lattice vectors: a 4.474472090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767096010000001Atomic positions (fractional): *1 O 0.73308847657666 0.94246619157448 0.42290678900322 15.999 2 O 0.23308847657667 0.55753380842552 0.57709321099678 15.999 3 O 0.76691152342334 0.55753380842552 0.92290678900322 15.999 4 O 0.26691152342334 0.94246619157448 0.07709321099678 15.999 5 O 0.26691152342334 0.05753380842552 0.57709321099678 15.999 6 O 0.76691152342334 0.44246619157448 0.42290678900322 15.999 7 O 0.23308847657667 0.44246619157448 0.07709321099678 15.999 8 O 0.73308847657666 0.05753380842552 0.92290678900322 15.999 *9 O 0.77357967759999 0.31245339425030 0.91906962563125 15.999 10 O 0.27357967760000 0.18754660574970 0.08093037436875 15.999 11 O 0.72642032240000 0.18754660574970 0.41906962563125 15.999 12 O 0.22642032240000 0.31245339425030 0.58093037436875 15.999 13 O 0.22642032240000 0.68754660574970 0.08093037436875 15.999 14 O 0.72642032240000 0.81245339425030 0.91906962563125 15.999 15 O 0.27357967760000 0.81245339425030 0.58093037436875 15.999 16 O 0.77357967759999 0.68754660574970 0.41906962563125 15.999 *17 Al 0.50000000000000 0.93505046232602 0.75000000000000 26.982 18 Al 0.00000000000000 0.56494953767398 0.25000000000000 26.982 19 Al 0.50000000000000 0.06494953767398 0.25000000000000 26.982 20 Al 0.00000000000000 0.43505046232602 0.75000000000000 26.982 *21 Ta 0.50000000000000 0.66874843024455 0.75000000000000 180.948 22 Ta 0.00000000000000 0.83125156975545 0.25000000000000 180.948 23 Ta 0.50000000000000 0.33125156975545 0.25000000000000 180.948 24 Ta 0.00000000000000 0.16874843024455 0.75000000000000 180.948-------------------------------- unit cell ---------------------------------Lattice vectors: a 4.474472090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767096010000001Atomic positions (fractional): *1 O 0.73308847657666 0.94246619157448 0.42290678900322 15.999 > 1 2 O 0.23308847657667 0.55753380842552 0.57709321099678 15.999 > 2 3 O 0.76691152342334 0.55753380842552 0.92290678900322 15.999 > 3 4 O 0.26691152342334 0.94246619157448 0.07709321099678 15.999 > 4 5 O 0.26691152342334 0.05753380842552 0.57709321099678 15.999 > 5 6 O 0.76691152342334 0.44246619157448 0.42290678900322 15.999 > 6 7 O 0.23308847657667 0.44246619157448 0.07709321099678 15.999 > 7 8 O 0.73308847657666 0.05753380842552 0.92290678900322 15.999 > 8 *9 O 0.77357967760000 0.31245339425030 0.91906962563125 15.999 > 9 10 O 0.27357967760000 0.18754660574970 0.08093037436875 15.999 > 10 11 O 0.72642032240000 0.18754660574970 0.41906962563125 15.999 > 11 12 O 0.22642032240001 0.31245339425030 0.58093037436875 15.999 > 12 13 O 0.22642032240001 0.68754660574970 0.08093037436875 15.999 > 13 14 O 0.72642032240000 0.81245339425030 0.91906962563125 15.999 > 14 15 O 0.27357967760000 0.81245339425030 0.58093037436875 15.999 > 15 16 O 0.77357967760000 0.68754660574970 0.41906962563125 15.999 > 16 *17 Al 0.50000000000000 0.93505046232602 0.75000000000000 26.982 > 17 18 Al 0.00000000000000 0.56494953767398 0.25000000000000 26.982 > 18 19 Al 0.50000000000000 0.06494953767398 0.25000000000000 26.982 > 19 20 Al 0.00000000000000 0.43505046232602 0.75000000000000 26.982 > 20 *21 Ta 0.50000000000000 0.66874843024455 0.75000000000000 180.948 > 21 22 Ta 0.00000000000000 0.83125156975545 0.25000000000000 180.948 > 22 23 Ta 0.50000000000000 0.33125156975545 0.25000000000000 180.948 > 23 24 Ta 0.00000000000000 0.16874843024455 0.75000000000000 180.948 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 13.423416270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.534192020000003Atomic positions (fractional): *1 O 0.24436282552555 0.94246619157448 0.21145339450161 15.999 > 1 2 O 0.57769615885889 0.94246619157448 0.21145339450161 15.999 > 1 3 O 0.91102949219222 0.94246619157448 0.21145339450161 15.999 > 1 4 O 0.24436282552555 0.94246619157448 0.71145339450161 15.999 > 1 5 O 0.57769615885889 0.94246619157448 0.71145339450161 15.999 > 1 6 O 0.91102949219222 0.94246619157448 0.71145339450161 15.999 > 1 7 O 0.07769615885889 0.55753380842552 0.28854660549839 15.999 > 2 8 O 0.41102949219222 0.55753380842552 0.28854660549839 15.999 > 2 9 O 0.74436282552555 0.55753380842552 0.28854660549839 15.999 > 2 10 O 0.07769615885889 0.55753380842552 0.78854660549839 15.999 > 2 11 O 0.41102949219222 0.55753380842552 0.78854660549839 15.999 > 2 12 O 0.74436282552555 0.55753380842552 0.78854660549839 15.999 > 2 13 O 0.25563717447445 0.55753380842552 0.46145339450161 15.999 > 3 14 O 0.58897050780778 0.55753380842552 0.46145339450161 15.999 > 3 15 O 0.92230384114111 0.55753380842552 0.46145339450161 15.999 > 3 16 O 0.25563717447445 0.55753380842552 0.96145339450161 15.999 > 3 17 O 0.58897050780778 0.55753380842552 0.96145339450161 15.999 > 3 18 O 0.92230384114111 0.55753380842552 0.96145339450161 15.999 > 3 19 O 0.08897050780778 0.94246619157448 0.03854660549839 15.999 > 4 20 O 0.42230384114111 0.94246619157448 0.03854660549839 15.999 > 4 21 O 0.75563717447445 0.94246619157448 0.03854660549839 15.999 > 4 22 O 0.08897050780778 0.94246619157448 0.53854660549839 15.999 > 4 23 O 0.42230384114111 0.94246619157448 0.53854660549839 15.999 > 4 24 O 0.75563717447445 0.94246619157448 0.53854660549839 15.999 > 4 25 O 0.08897050780778 0.05753380842552 0.28854660549839 15.999 > 5 26 O 0.42230384114111 0.05753380842552 0.28854660549839 15.999 > 5 27 O 0.75563717447445 0.05753380842552 0.28854660549839 15.999 > 5 28 O 0.08897050780778 0.05753380842552 0.78854660549839 15.999 > 5 29 O 0.42230384114111 0.05753380842552 0.78854660549839 15.999 > 5 30 O 0.75563717447445 0.05753380842552 0.78854660549839 15.999 > 5 31 O 0.25563717447445 0.44246619157448 0.21145339450161 15.999 > 6 32 O 0.58897050780778 0.44246619157448 0.21145339450161 15.999 > 6 33 O 0.92230384114111 0.44246619157448 0.21145339450161 15.999 > 6 34 O 0.25563717447445 0.44246619157448 0.71145339450161 15.999 > 6 35 O 0.58897050780778 0.44246619157448 0.71145339450161 15.999 > 6 36 O 0.92230384114111 0.44246619157448 0.71145339450161 15.999 > 6 37 O 0.07769615885889 0.44246619157448 0.03854660549839 15.999 > 7 38 O 0.41102949219222 0.44246619157448 0.03854660549839 15.999 > 7 39 O 0.74436282552555 0.44246619157448 0.03854660549839 15.999 > 7 40 O 0.07769615885889 0.44246619157448 0.53854660549839 15.999 > 7 41 O 0.41102949219222 0.44246619157448 0.53854660549839 15.999 > 7 42 O 0.74436282552555 0.44246619157448 0.53854660549839 15.999 > 7 43 O 0.24436282552555 0.05753380842552 0.46145339450161 15.999 > 8 44 O 0.57769615885889 0.05753380842552 0.46145339450161 15.999 > 8 45 O 0.91102949219222 0.05753380842552 0.46145339450161 15.999 > 8 46 O 0.24436282552555 0.05753380842552 0.96145339450161 15.999 > 8 47 O 0.57769615885889 0.05753380842552 0.96145339450161 15.999 > 8 48 O 0.91102949219222 0.05753380842552 0.96145339450161 15.999 > 8 *49 O 0.25785989253333 0.31245339425030 0.45953481281562 15.999 > 9 50 O 0.59119322586667 0.31245339425030 0.45953481281562 15.999 > 9 51 O 0.92452655920000 0.31245339425030 0.45953481281562 15.999 > 9 52 O 0.25785989253333 0.31245339425030 0.95953481281562 15.999 > 9 53 O 0.59119322586667 0.31245339425030 0.95953481281562 15.999 > 9 54 O 0.92452655920000 0.31245339425030 0.95953481281562 15.999 > 9 55 O 0.09119322586667 0.18754660574970 0.04046518718438 15.999 > 10 56 O 0.42452655920000 0.18754660574970 0.04046518718438 15.999 > 10 57 O 0.75785989253333 0.18754660574970 0.04046518718438 15.999 > 10 58 O 0.09119322586667 0.18754660574970 0.54046518718438 15.999 > 10 59 O 0.42452655920000 0.18754660574970 0.54046518718438 15.999 > 10 60 O 0.75785989253333 0.18754660574970 0.54046518718438 15.999 > 10 61 O 0.24214010746667 0.18754660574970 0.20953481281562 15.999 > 11 62 O 0.57547344080000 0.18754660574970 0.20953481281562 15.999 > 11 63 O 0.90880677413333 0.18754660574970 0.20953481281562 15.999 > 11 64 O 0.24214010746667 0.18754660574970 0.70953481281562 15.999 > 11 65 O 0.57547344080000 0.18754660574970 0.70953481281562 15.999 > 11 66 O 0.90880677413333 0.18754660574970 0.70953481281562 15.999 > 11 67 O 0.07547344080000 0.31245339425030 0.29046518718438 15.999 > 12 68 O 0.40880677413333 0.31245339425030 0.29046518718438 15.999 > 12 69 O 0.74214010746667 0.31245339425030 0.29046518718438 15.999 > 12 70 O 0.07547344080000 0.31245339425030 0.79046518718438 15.999 > 12 71 O 0.40880677413333 0.31245339425030 0.79046518718438 15.999 > 12 72 O 0.74214010746667 0.31245339425030 0.79046518718438 15.999 > 12 73 O 0.07547344080000 0.68754660574970 0.04046518718438 15.999 > 13 74 O 0.40880677413333 0.68754660574970 0.04046518718438 15.999 > 13 75 O 0.74214010746667 0.68754660574970 0.04046518718438 15.999 > 13 76 O 0.07547344080000 0.68754660574970 0.54046518718438 15.999 > 13 77 O 0.40880677413333 0.68754660574970 0.54046518718438 15.999 > 13 78 O 0.74214010746667 0.68754660574970 0.54046518718438 15.999 > 13 79 O 0.24214010746667 0.81245339425030 0.45953481281562 15.999 > 14 80 O 0.57547344080000 0.81245339425030 0.45953481281562 15.999 > 14 81 O 0.90880677413333 0.81245339425030 0.45953481281562 15.999 > 14 82 O 0.24214010746667 0.81245339425030 0.95953481281562 15.999 > 14 83 O 0.57547344080000 0.81245339425030 0.95953481281562 15.999 > 14 84 O 0.90880677413333 0.81245339425030 0.95953481281562 15.999 > 14 85 O 0.09119322586667 0.81245339425030 0.29046518718438 15.999 > 15 86 O 0.42452655920000 0.81245339425030 0.29046518718438 15.999 > 15 87 O 0.75785989253333 0.81245339425030 0.29046518718438 15.999 > 15 88 O 0.09119322586667 0.81245339425030 0.79046518718438 15.999 > 15 89 O 0.42452655920000 0.81245339425030 0.79046518718438 15.999 > 15 90 O 0.75785989253333 0.81245339425030 0.79046518718438 15.999 > 15 91 O 0.25785989253333 0.68754660574970 0.20953481281562 15.999 > 16 92 O 0.59119322586667 0.68754660574970 0.20953481281562 15.999 > 16 93 O 0.92452655920000 0.68754660574970 0.20953481281562 15.999 > 16 94 O 0.25785989253333 0.68754660574970 0.70953481281562 15.999 > 16 95 O 0.59119322586667 0.68754660574970 0.70953481281562 15.999 > 16 96 O 0.92452655920000 0.68754660574970 0.70953481281562 15.999 > 16 *97 Al 0.16666666666667 0.93505046232602 0.37500000000000 26.982 > 17 98 Al 0.50000000000000 0.93505046232602 0.37500000000000 26.982 > 17 99 Al 0.83333333333333 0.93505046232602 0.37500000000000 26.982 > 17 100 Al 0.16666666666667 0.93505046232602 0.87500000000000 26.982 > 17 101 Al 0.50000000000000 0.93505046232602 0.87500000000000 26.982 > 17 102 Al 0.83333333333333 0.93505046232602 0.87500000000000 26.982 > 17 103 Al 0.00000000000000 0.56494953767398 0.12500000000000 26.982 > 18 104 Al 0.33333333333333 0.56494953767398 0.12500000000000 26.982 > 18 105 Al 0.66666666666667 0.56494953767398 0.12500000000000 26.982 > 18 106 Al 0.00000000000000 0.56494953767398 0.62500000000000 26.982 > 18 107 Al 0.33333333333333 0.56494953767398 0.62500000000000 26.982 > 18 108 Al 0.66666666666667 0.56494953767398 0.62500000000000 26.982 > 18 109 Al 0.16666666666667 0.06494953767398 0.12500000000000 26.982 > 19 110 Al 0.50000000000000 0.06494953767398 0.12500000000000 26.982 > 19 111 Al 0.83333333333333 0.06494953767398 0.12500000000000 26.982 > 19 112 Al 0.16666666666667 0.06494953767398 0.62500000000000 26.982 > 19 113 Al 0.50000000000000 0.06494953767398 0.62500000000000 26.982 > 19 114 Al 0.83333333333333 0.06494953767398 0.62500000000000 26.982 > 19 115 Al 0.00000000000000 0.43505046232602 0.37500000000000 26.982 > 20 116 Al 0.33333333333333 0.43505046232602 0.37500000000000 26.982 > 20 117 Al 0.66666666666667 0.43505046232602 0.37500000000000 26.982 > 20 118 Al 0.00000000000000 0.43505046232602 0.87500000000000 26.982 > 20 119 Al 0.33333333333333 0.43505046232602 0.87500000000000 26.982 > 20 120 Al 0.66666666666667 0.43505046232602 0.87500000000000 26.982 > 20 *121 Ta 0.16666666666667 0.66874843024455 0.37500000000000 180.948 > 21 122 Ta 0.50000000000000 0.66874843024455 0.37500000000000 180.948 > 21 123 Ta 0.83333333333333 0.66874843024455 0.37500000000000 180.948 > 21 124 Ta 0.16666666666667 0.66874843024455 0.87500000000000 180.948 > 21 125 Ta 0.50000000000000 0.66874843024455 0.87500000000000 180.948 > 21 126 Ta 0.83333333333333 0.66874843024455 0.87500000000000 180.948 > 21 127 Ta 0.00000000000000 0.83125156975545 0.12500000000000 180.948 > 22 128 Ta 0.33333333333333 0.83125156975545 0.12500000000000 180.948 > 22 129 Ta 0.66666666666667 0.83125156975545 0.12500000000000 180.948 > 22 130 Ta 0.00000000000000 0.83125156975545 0.62500000000000 180.948 > 22 131 Ta 0.33333333333333 0.83125156975545 0.62500000000000 180.948 > 22 132 Ta 0.66666666666667 0.83125156975545 0.62500000000000 180.948 > 22 133 Ta 0.16666666666667 0.33125156975545 0.12500000000000 180.948 > 23 134 Ta 0.50000000000000 0.33125156975545 0.12500000000000 180.948 > 23 135 Ta 0.83333333333333 0.33125156975545 0.12500000000000 180.948 > 23 136 Ta 0.16666666666667 0.33125156975545 0.62500000000000 180.948 > 23 137 Ta 0.50000000000000 0.33125156975545 0.62500000000000 180.948 > 23 138 Ta 0.83333333333333 0.33125156975545 0.62500000000000 180.948 > 23 139 Ta 0.00000000000000 0.16874843024455 0.37500000000000 180.948 > 24 140 Ta 0.33333333333333 0.16874843024455 0.37500000000000 180.948 > 24 141 Ta 0.66666666666667 0.16874843024455 0.37500000000000 180.948 > 24 142 Ta 0.00000000000000 0.16874843024455 0.87500000000000 180.948 > 24 143 Ta 0.33333333333333 0.16874843024455 0.87500000000000 180.948 > 24 144 Ta 0.66666666666667 0.16874843024455 0.87500000000000 180.948 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2807835 0.0000000 0.0000000 0.0000000 4.6368118 0.0000000 0.0000000 0.0000000 4.9345042-------------------------- Born effective charges -------------------------- 1 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 2 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 3 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 4 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 5 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 6 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 7 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 8 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 9 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 10 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 11 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 12 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 13 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 14 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 15 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 16 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 17 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 18 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 19 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 20 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 21 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 22 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593 23 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 24 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593----------------------------------------------------------------------------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: 432/432Permutation basis: 16056/16056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2056Number of blocks in projector: 2056Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 440Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 424Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 424Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 256Use standard eigh solver.Tree of FC basis block matrices:- (2056, 2028), data: False|-- (256, 252), data: True|-- (256, 252), data: True|-- (256, 252), data: True|-- (424, 420), data: True|-- (424, 420), data: True|-- (440, 432), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 400 - Time: 0.694Solver_block: 200 / 400 - Time: 0.641Solver_block: 300 / 400 - Time: 0.647Solver_block: 400 / 400 - Time: 0.639Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.679--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432Permutation basis: 16056/16056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2056Number of blocks in projector: 2056Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 440Use standard eigh solver.--- Eigsh_solver_block: 2 / 6 ---Block_size: 424Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 424Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 256Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 256Use standard eigh solver.Tree of FC basis block matrices:- (2056, 2028), data: False|-- (256, 252), data: True|-- (256, 252), data: True|-- (256, 252), data: True|-- (424, 420), data: True|-- (424, 420), data: True|-- (440, 432), data: TrueMax 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 23:05:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:05:09]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.474472090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767096010000001Atomic positions (fractional): 1 O 0.73308847657666 0.94246619157448 0.42290678900322 15.999 2 O 0.23308847657667 0.55753380842552 0.57709321099678 15.999 3 O 0.76691152342334 0.55753380842552 0.92290678900322 15.999 4 O 0.26691152342334 0.94246619157448 0.07709321099678 15.999 5 O 0.26691152342334 0.05753380842552 0.57709321099678 15.999 6 O 0.76691152342334 0.44246619157448 0.42290678900322 15.999 7 O 0.23308847657667 0.44246619157448 0.07709321099678 15.999 8 O 0.73308847657666 0.05753380842552 0.92290678900322 15.999 9 O 0.77357967759999 0.31245339425030 0.91906962563125 15.999 10 O 0.27357967760000 0.18754660574970 0.08093037436875 15.999 11 O 0.72642032240000 0.18754660574970 0.41906962563125 15.999 12 O 0.22642032240000 0.31245339425030 0.58093037436875 15.999 13 O 0.22642032240000 0.68754660574970 0.08093037436875 15.999 14 O 0.72642032240000 0.81245339425030 0.91906962563125 15.999 15 O 0.27357967760000 0.81245339425030 0.58093037436875 15.999 16 O 0.77357967759999 0.68754660574970 0.41906962563125 15.999 17 Al 0.50000000000000 0.93505046232602 0.75000000000000 26.982 18 Al 0.00000000000000 0.56494953767398 0.25000000000000 26.982 19 Al 0.50000000000000 0.06494953767398 0.25000000000000 26.982 20 Al 0.00000000000000 0.43505046232602 0.75000000000000 26.982 21 Ta 0.50000000000000 0.66874843024455 0.75000000000000 180.948 22 Ta 0.00000000000000 0.83125156975545 0.25000000000000 180.948 23 Ta 0.50000000000000 0.33125156975545 0.25000000000000 180.948 24 Ta 0.00000000000000 0.16874843024455 0.75000000000000 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 13.423416270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.534192020000003Atomic positions (fractional): 1 O 0.24436282552555 0.94246619157448 0.21145339450161 15.999 > 1 2 O 0.57769615885889 0.94246619157448 0.21145339450161 15.999 > 1 3 O 0.91102949219222 0.94246619157448 0.21145339450161 15.999 > 1 4 O 0.24436282552555 0.94246619157448 0.71145339450161 15.999 > 1 5 O 0.57769615885889 0.94246619157448 0.71145339450161 15.999 > 1 6 O 0.91102949219222 0.94246619157448 0.71145339450161 15.999 > 1 7 O 0.07769615885889 0.55753380842552 0.28854660549839 15.999 > 7 8 O 0.41102949219222 0.55753380842552 0.28854660549839 15.999 > 7 9 O 0.74436282552555 0.55753380842552 0.28854660549839 15.999 > 7 10 O 0.07769615885889 0.55753380842552 0.78854660549839 15.999 > 7 11 O 0.41102949219222 0.55753380842552 0.78854660549839 15.999 > 7 12 O 0.74436282552555 0.55753380842552 0.78854660549839 15.999 > 7 13 O 0.25563717447445 0.55753380842552 0.46145339450161 15.999 > 13 14 O 0.58897050780778 0.55753380842552 0.46145339450161 15.999 > 13 15 O 0.92230384114111 0.55753380842552 0.46145339450161 15.999 > 13 16 O 0.25563717447445 0.55753380842552 0.96145339450161 15.999 > 13 17 O 0.58897050780778 0.55753380842552 0.96145339450161 15.999 > 13 18 O 0.92230384114111 0.55753380842552 0.96145339450161 15.999 > 13 19 O 0.08897050780778 0.94246619157448 0.03854660549839 15.999 > 19 20 O 0.42230384114111 0.94246619157448 0.03854660549839 15.999 > 19 21 O 0.75563717447445 0.94246619157448 0.03854660549839 15.999 > 19 22 O 0.08897050780778 0.94246619157448 0.53854660549839 15.999 > 19 23 O 0.42230384114111 0.94246619157448 0.53854660549839 15.999 > 19 24 O 0.75563717447445 0.94246619157448 0.53854660549839 15.999 > 19 25 O 0.08897050780778 0.05753380842552 0.28854660549839 15.999 > 25 26 O 0.42230384114111 0.05753380842552 0.28854660549839 15.999 > 25 27 O 0.75563717447445 0.05753380842552 0.28854660549839 15.999 > 25 28 O 0.08897050780778 0.05753380842552 0.78854660549839 15.999 > 25 29 O 0.42230384114111 0.05753380842552 0.78854660549839 15.999 > 25 30 O 0.75563717447445 0.05753380842552 0.78854660549839 15.999 > 25 31 O 0.25563717447445 0.44246619157448 0.21145339450161 15.999 > 31 32 O 0.58897050780778 0.44246619157448 0.21145339450161 15.999 > 31 33 O 0.92230384114111 0.44246619157448 0.21145339450161 15.999 > 31 34 O 0.25563717447445 0.44246619157448 0.71145339450161 15.999 > 31 35 O 0.58897050780778 0.44246619157448 0.71145339450161 15.999 > 31 36 O 0.92230384114111 0.44246619157448 0.71145339450161 15.999 > 31 37 O 0.07769615885889 0.44246619157448 0.03854660549839 15.999 > 37 38 O 0.41102949219222 0.44246619157448 0.03854660549839 15.999 > 37 39 O 0.74436282552555 0.44246619157448 0.03854660549839 15.999 > 37 40 O 0.07769615885889 0.44246619157448 0.53854660549839 15.999 > 37 41 O 0.41102949219222 0.44246619157448 0.53854660549839 15.999 > 37 42 O 0.74436282552555 0.44246619157448 0.53854660549839 15.999 > 37 43 O 0.24436282552555 0.05753380842552 0.46145339450161 15.999 > 43 44 O 0.57769615885889 0.05753380842552 0.46145339450161 15.999 > 43 45 O 0.91102949219222 0.05753380842552 0.46145339450161 15.999 > 43 46 O 0.24436282552555 0.05753380842552 0.96145339450161 15.999 > 43 47 O 0.57769615885889 0.05753380842552 0.96145339450161 15.999 > 43 48 O 0.91102949219222 0.05753380842552 0.96145339450161 15.999 > 43 49 O 0.25785989253333 0.31245339425030 0.45953481281562 15.999 > 49 50 O 0.59119322586667 0.31245339425030 0.45953481281562 15.999 > 49 51 O 0.92452655920000 0.31245339425030 0.45953481281562 15.999 > 49 52 O 0.25785989253333 0.31245339425030 0.95953481281562 15.999 > 49 53 O 0.59119322586667 0.31245339425030 0.95953481281562 15.999 > 49 54 O 0.92452655920000 0.31245339425030 0.95953481281562 15.999 > 49 55 O 0.09119322586667 0.18754660574970 0.04046518718438 15.999 > 55 56 O 0.42452655920000 0.18754660574970 0.04046518718438 15.999 > 55 57 O 0.75785989253333 0.18754660574970 0.04046518718438 15.999 > 55 58 O 0.09119322586667 0.18754660574970 0.54046518718438 15.999 > 55 59 O 0.42452655920000 0.18754660574970 0.54046518718438 15.999 > 55 60 O 0.75785989253333 0.18754660574970 0.54046518718438 15.999 > 55 61 O 0.24214010746667 0.18754660574970 0.20953481281562 15.999 > 61 62 O 0.57547344080000 0.18754660574970 0.20953481281562 15.999 > 61 63 O 0.90880677413333 0.18754660574970 0.20953481281562 15.999 > 61 64 O 0.24214010746667 0.18754660574970 0.70953481281562 15.999 > 61 65 O 0.57547344080000 0.18754660574970 0.70953481281562 15.999 > 61 66 O 0.90880677413333 0.18754660574970 0.70953481281562 15.999 > 61 67 O 0.07547344080000 0.31245339425030 0.29046518718438 15.999 > 67 68 O 0.40880677413333 0.31245339425030 0.29046518718438 15.999 > 67 69 O 0.74214010746667 0.31245339425030 0.29046518718438 15.999 > 67 70 O 0.07547344080000 0.31245339425030 0.79046518718438 15.999 > 67 71 O 0.40880677413333 0.31245339425030 0.79046518718438 15.999 > 67 72 O 0.74214010746667 0.31245339425030 0.79046518718438 15.999 > 67 73 O 0.07547344080000 0.68754660574970 0.04046518718438 15.999 > 73 74 O 0.40880677413333 0.68754660574970 0.04046518718438 15.999 > 73 75 O 0.74214010746667 0.68754660574970 0.04046518718438 15.999 > 73 76 O 0.07547344080000 0.68754660574970 0.54046518718438 15.999 > 73 77 O 0.40880677413333 0.68754660574970 0.54046518718438 15.999 > 73 78 O 0.74214010746667 0.68754660574970 0.54046518718438 15.999 > 73 79 O 0.24214010746667 0.81245339425030 0.45953481281562 15.999 > 79 80 O 0.57547344080000 0.81245339425030 0.45953481281562 15.999 > 79 81 O 0.90880677413333 0.81245339425030 0.45953481281562 15.999 > 79 82 O 0.24214010746667 0.81245339425030 0.95953481281562 15.999 > 79 83 O 0.57547344080000 0.81245339425030 0.95953481281562 15.999 > 79 84 O 0.90880677413333 0.81245339425030 0.95953481281562 15.999 > 79 85 O 0.09119322586667 0.81245339425030 0.29046518718438 15.999 > 85 86 O 0.42452655920000 0.81245339425030 0.29046518718438 15.999 > 85 87 O 0.75785989253333 0.81245339425030 0.29046518718438 15.999 > 85 88 O 0.09119322586667 0.81245339425030 0.79046518718438 15.999 > 85 89 O 0.42452655920000 0.81245339425030 0.79046518718438 15.999 > 85 90 O 0.75785989253333 0.81245339425030 0.79046518718438 15.999 > 85 91 O 0.25785989253333 0.68754660574970 0.20953481281562 15.999 > 91 92 O 0.59119322586667 0.68754660574970 0.20953481281562 15.999 > 91 93 O 0.92452655920000 0.68754660574970 0.20953481281562 15.999 > 91 94 O 0.25785989253333 0.68754660574970 0.70953481281562 15.999 > 91 95 O 0.59119322586667 0.68754660574970 0.70953481281562 15.999 > 91 96 O 0.92452655920000 0.68754660574970 0.70953481281562 15.999 > 91 97 Al 0.16666666666667 0.93505046232602 0.37500000000000 26.982 > 97 98 Al 0.50000000000000 0.93505046232602 0.37500000000000 26.982 > 97 99 Al 0.83333333333333 0.93505046232602 0.37500000000000 26.982 > 97 100 Al 0.16666666666667 0.93505046232602 0.87500000000000 26.982 > 97 101 Al 0.50000000000000 0.93505046232602 0.87500000000000 26.982 > 97 102 Al 0.83333333333333 0.93505046232602 0.87500000000000 26.982 > 97 103 Al 0.00000000000000 0.56494953767398 0.12500000000000 26.982 > 103 104 Al 0.33333333333333 0.56494953767398 0.12500000000000 26.982 > 103 105 Al 0.66666666666667 0.56494953767398 0.12500000000000 26.982 > 103 106 Al 0.00000000000000 0.56494953767398 0.62500000000000 26.982 > 103 107 Al 0.33333333333333 0.56494953767398 0.62500000000000 26.982 > 103 108 Al 0.66666666666667 0.56494953767398 0.62500000000000 26.982 > 103 109 Al 0.16666666666667 0.06494953767398 0.12500000000000 26.982 > 109 110 Al 0.50000000000000 0.06494953767398 0.12500000000000 26.982 > 109 111 Al 0.83333333333333 0.06494953767398 0.12500000000000 26.982 > 109 112 Al 0.16666666666667 0.06494953767398 0.62500000000000 26.982 > 109 113 Al 0.50000000000000 0.06494953767398 0.62500000000000 26.982 > 109 114 Al 0.83333333333333 0.06494953767398 0.62500000000000 26.982 > 109 115 Al 0.00000000000000 0.43505046232602 0.37500000000000 26.982 > 115 116 Al 0.33333333333333 0.43505046232602 0.37500000000000 26.982 > 115 117 Al 0.66666666666667 0.43505046232602 0.37500000000000 26.982 > 115 118 Al 0.00000000000000 0.43505046232602 0.87500000000000 26.982 > 115 119 Al 0.33333333333333 0.43505046232602 0.87500000000000 26.982 > 115 120 Al 0.66666666666667 0.43505046232602 0.87500000000000 26.982 > 115 121 Ta 0.16666666666667 0.66874843024455 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.66874843024455 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.66874843024455 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.66874843024455 0.87500000000000 180.948 > 121 125 Ta 0.50000000000000 0.66874843024455 0.87500000000000 180.948 > 121 126 Ta 0.83333333333333 0.66874843024455 0.87500000000000 180.948 > 121 127 Ta 0.00000000000000 0.83125156975545 0.12500000000000 180.948 > 127 128 Ta 0.33333333333333 0.83125156975545 0.12500000000000 180.948 > 127 129 Ta 0.66666666666667 0.83125156975545 0.12500000000000 180.948 > 127 130 Ta 0.00000000000000 0.83125156975545 0.62500000000000 180.948 > 127 131 Ta 0.33333333333333 0.83125156975545 0.62500000000000 180.948 > 127 132 Ta 0.66666666666667 0.83125156975545 0.62500000000000 180.948 > 127 133 Ta 0.16666666666667 0.33125156975545 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.33125156975545 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.33125156975545 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.33125156975545 0.62500000000000 180.948 > 133 137 Ta 0.50000000000000 0.33125156975545 0.62500000000000 180.948 > 133 138 Ta 0.83333333333333 0.33125156975545 0.62500000000000 180.948 > 133 139 Ta 0.00000000000000 0.16874843024455 0.37500000000000 180.948 > 139 140 Ta 0.33333333333333 0.16874843024455 0.37500000000000 180.948 > 139 141 Ta 0.66666666666667 0.16874843024455 0.37500000000000 180.948 > 139 142 Ta 0.00000000000000 0.16874843024455 0.87500000000000 180.948 > 139 143 Ta 0.33333333333333 0.16874843024455 0.87500000000000 180.948 > 139 144 Ta 0.66666666666667 0.16874843024455 0.87500000000000 180.948 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 5.2807835 0.0000000 0.0000000 0.0000000 4.6368118 0.0000000 0.0000000 0.0000000 4.9345042-------------------------- Born effective charges -------------------------- 1 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 2 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 3 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 4 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 5 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 6 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 7 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 8 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 9 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 10 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 11 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 12 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 13 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 14 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 15 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 16 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 17 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 18 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 19 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 20 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 21 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 22 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593 23 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 24 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 49, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 121, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 23:05:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:05:32]-------------------------Compiled with OpenMP support (max 48 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 1 2]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pbcn (60)------------------------------ primitive cell ------------------------------Lattice vectors: a 4.474472090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.767096010000001Atomic positions (fractional): 1 O 0.73308847657666 0.94246619157448 0.42290678900322 15.999 2 O 0.23308847657667 0.55753380842552 0.57709321099678 15.999 3 O 0.76691152342334 0.55753380842552 0.92290678900322 15.999 4 O 0.26691152342334 0.94246619157448 0.07709321099678 15.999 5 O 0.26691152342334 0.05753380842552 0.57709321099678 15.999 6 O 0.76691152342334 0.44246619157448 0.42290678900322 15.999 7 O 0.23308847657667 0.44246619157448 0.07709321099678 15.999 8 O 0.73308847657666 0.05753380842552 0.92290678900322 15.999 9 O 0.77357967759999 0.31245339425030 0.91906962563125 15.999 10 O 0.27357967760000 0.18754660574970 0.08093037436875 15.999 11 O 0.72642032240000 0.18754660574970 0.41906962563125 15.999 12 O 0.22642032240000 0.31245339425030 0.58093037436875 15.999 13 O 0.22642032240000 0.68754660574970 0.08093037436875 15.999 14 O 0.72642032240000 0.81245339425030 0.91906962563125 15.999 15 O 0.27357967760000 0.81245339425030 0.58093037436875 15.999 16 O 0.77357967759999 0.68754660574970 0.41906962563125 15.999 17 Al 0.50000000000000 0.93505046232602 0.75000000000000 26.982 18 Al 0.00000000000000 0.56494953767398 0.25000000000000 26.982 19 Al 0.50000000000000 0.06494953767398 0.25000000000000 26.982 20 Al 0.00000000000000 0.43505046232602 0.75000000000000 26.982 21 Ta 0.50000000000000 0.66874843024455 0.75000000000000 180.948 22 Ta 0.00000000000000 0.83125156975545 0.25000000000000 180.948 23 Ta 0.50000000000000 0.33125156975545 0.25000000000000 180.948 24 Ta 0.00000000000000 0.16874843024455 0.75000000000000 180.948-------------------------------- supercell ---------------------------------Lattice vectors: a 13.423416270000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.297681610000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.534192020000003Atomic positions (fractional): 1 O 0.24436282552555 0.94246619157448 0.21145339450161 15.999 > 1 2 O 0.57769615885889 0.94246619157448 0.21145339450161 15.999 > 1 3 O 0.91102949219222 0.94246619157448 0.21145339450161 15.999 > 1 4 O 0.24436282552555 0.94246619157448 0.71145339450161 15.999 > 1 5 O 0.57769615885889 0.94246619157448 0.71145339450161 15.999 > 1 6 O 0.91102949219222 0.94246619157448 0.71145339450161 15.999 > 1 7 O 0.07769615885889 0.55753380842552 0.28854660549839 15.999 > 7 8 O 0.41102949219222 0.55753380842552 0.28854660549839 15.999 > 7 9 O 0.74436282552555 0.55753380842552 0.28854660549839 15.999 > 7 10 O 0.07769615885889 0.55753380842552 0.78854660549839 15.999 > 7 11 O 0.41102949219222 0.55753380842552 0.78854660549839 15.999 > 7 12 O 0.74436282552555 0.55753380842552 0.78854660549839 15.999 > 7 13 O 0.25563717447445 0.55753380842552 0.46145339450161 15.999 > 13 14 O 0.58897050780778 0.55753380842552 0.46145339450161 15.999 > 13 15 O 0.92230384114111 0.55753380842552 0.46145339450161 15.999 > 13 16 O 0.25563717447445 0.55753380842552 0.96145339450161 15.999 > 13 17 O 0.58897050780778 0.55753380842552 0.96145339450161 15.999 > 13 18 O 0.92230384114111 0.55753380842552 0.96145339450161 15.999 > 13 19 O 0.08897050780778 0.94246619157448 0.03854660549839 15.999 > 19 20 O 0.42230384114111 0.94246619157448 0.03854660549839 15.999 > 19 21 O 0.75563717447445 0.94246619157448 0.03854660549839 15.999 > 19 22 O 0.08897050780778 0.94246619157448 0.53854660549839 15.999 > 19 23 O 0.42230384114111 0.94246619157448 0.53854660549839 15.999 > 19 24 O 0.75563717447445 0.94246619157448 0.53854660549839 15.999 > 19 25 O 0.08897050780778 0.05753380842552 0.28854660549839 15.999 > 25 26 O 0.42230384114111 0.05753380842552 0.28854660549839 15.999 > 25 27 O 0.75563717447445 0.05753380842552 0.28854660549839 15.999 > 25 28 O 0.08897050780778 0.05753380842552 0.78854660549839 15.999 > 25 29 O 0.42230384114111 0.05753380842552 0.78854660549839 15.999 > 25 30 O 0.75563717447445 0.05753380842552 0.78854660549839 15.999 > 25 31 O 0.25563717447445 0.44246619157448 0.21145339450161 15.999 > 31 32 O 0.58897050780778 0.44246619157448 0.21145339450161 15.999 > 31 33 O 0.92230384114111 0.44246619157448 0.21145339450161 15.999 > 31 34 O 0.25563717447445 0.44246619157448 0.71145339450161 15.999 > 31 35 O 0.58897050780778 0.44246619157448 0.71145339450161 15.999 > 31 36 O 0.92230384114111 0.44246619157448 0.71145339450161 15.999 > 31 37 O 0.07769615885889 0.44246619157448 0.03854660549839 15.999 > 37 38 O 0.41102949219222 0.44246619157448 0.03854660549839 15.999 > 37 39 O 0.74436282552555 0.44246619157448 0.03854660549839 15.999 > 37 40 O 0.07769615885889 0.44246619157448 0.53854660549839 15.999 > 37 41 O 0.41102949219222 0.44246619157448 0.53854660549839 15.999 > 37 42 O 0.74436282552555 0.44246619157448 0.53854660549839 15.999 > 37 43 O 0.24436282552555 0.05753380842552 0.46145339450161 15.999 > 43 44 O 0.57769615885889 0.05753380842552 0.46145339450161 15.999 > 43 45 O 0.91102949219222 0.05753380842552 0.46145339450161 15.999 > 43 46 O 0.24436282552555 0.05753380842552 0.96145339450161 15.999 > 43 47 O 0.57769615885889 0.05753380842552 0.96145339450161 15.999 > 43 48 O 0.91102949219222 0.05753380842552 0.96145339450161 15.999 > 43 49 O 0.25785989253333 0.31245339425030 0.45953481281562 15.999 > 49 50 O 0.59119322586667 0.31245339425030 0.45953481281562 15.999 > 49 51 O 0.92452655920000 0.31245339425030 0.45953481281562 15.999 > 49 52 O 0.25785989253333 0.31245339425030 0.95953481281562 15.999 > 49 53 O 0.59119322586667 0.31245339425030 0.95953481281562 15.999 > 49 54 O 0.92452655920000 0.31245339425030 0.95953481281562 15.999 > 49 55 O 0.09119322586667 0.18754660574970 0.04046518718438 15.999 > 55 56 O 0.42452655920000 0.18754660574970 0.04046518718438 15.999 > 55 57 O 0.75785989253333 0.18754660574970 0.04046518718438 15.999 > 55 58 O 0.09119322586667 0.18754660574970 0.54046518718438 15.999 > 55 59 O 0.42452655920000 0.18754660574970 0.54046518718438 15.999 > 55 60 O 0.75785989253333 0.18754660574970 0.54046518718438 15.999 > 55 61 O 0.24214010746667 0.18754660574970 0.20953481281562 15.999 > 61 62 O 0.57547344080000 0.18754660574970 0.20953481281562 15.999 > 61 63 O 0.90880677413333 0.18754660574970 0.20953481281562 15.999 > 61 64 O 0.24214010746667 0.18754660574970 0.70953481281562 15.999 > 61 65 O 0.57547344080000 0.18754660574970 0.70953481281562 15.999 > 61 66 O 0.90880677413333 0.18754660574970 0.70953481281562 15.999 > 61 67 O 0.07547344080000 0.31245339425030 0.29046518718438 15.999 > 67 68 O 0.40880677413333 0.31245339425030 0.29046518718438 15.999 > 67 69 O 0.74214010746667 0.31245339425030 0.29046518718438 15.999 > 67 70 O 0.07547344080000 0.31245339425030 0.79046518718438 15.999 > 67 71 O 0.40880677413333 0.31245339425030 0.79046518718438 15.999 > 67 72 O 0.74214010746667 0.31245339425030 0.79046518718438 15.999 > 67 73 O 0.07547344080000 0.68754660574970 0.04046518718438 15.999 > 73 74 O 0.40880677413333 0.68754660574970 0.04046518718438 15.999 > 73 75 O 0.74214010746667 0.68754660574970 0.04046518718438 15.999 > 73 76 O 0.07547344080000 0.68754660574970 0.54046518718438 15.999 > 73 77 O 0.40880677413333 0.68754660574970 0.54046518718438 15.999 > 73 78 O 0.74214010746667 0.68754660574970 0.54046518718438 15.999 > 73 79 O 0.24214010746667 0.81245339425030 0.45953481281562 15.999 > 79 80 O 0.57547344080000 0.81245339425030 0.45953481281562 15.999 > 79 81 O 0.90880677413333 0.81245339425030 0.45953481281562 15.999 > 79 82 O 0.24214010746667 0.81245339425030 0.95953481281562 15.999 > 79 83 O 0.57547344080000 0.81245339425030 0.95953481281562 15.999 > 79 84 O 0.90880677413333 0.81245339425030 0.95953481281562 15.999 > 79 85 O 0.09119322586667 0.81245339425030 0.29046518718438 15.999 > 85 86 O 0.42452655920000 0.81245339425030 0.29046518718438 15.999 > 85 87 O 0.75785989253333 0.81245339425030 0.29046518718438 15.999 > 85 88 O 0.09119322586667 0.81245339425030 0.79046518718438 15.999 > 85 89 O 0.42452655920000 0.81245339425030 0.79046518718438 15.999 > 85 90 O 0.75785989253333 0.81245339425030 0.79046518718438 15.999 > 85 91 O 0.25785989253333 0.68754660574970 0.20953481281562 15.999 > 91 92 O 0.59119322586667 0.68754660574970 0.20953481281562 15.999 > 91 93 O 0.92452655920000 0.68754660574970 0.20953481281562 15.999 > 91 94 O 0.25785989253333 0.68754660574970 0.70953481281562 15.999 > 91 95 O 0.59119322586667 0.68754660574970 0.70953481281562 15.999 > 91 96 O 0.92452655920000 0.68754660574970 0.70953481281562 15.999 > 91 97 Al 0.16666666666667 0.93505046232602 0.37500000000000 26.982 > 97 98 Al 0.50000000000000 0.93505046232602 0.37500000000000 26.982 > 97 99 Al 0.83333333333333 0.93505046232602 0.37500000000000 26.982 > 97 100 Al 0.16666666666667 0.93505046232602 0.87500000000000 26.982 > 97 101 Al 0.50000000000000 0.93505046232602 0.87500000000000 26.982 > 97 102 Al 0.83333333333333 0.93505046232602 0.87500000000000 26.982 > 97 103 Al 0.00000000000000 0.56494953767398 0.12500000000000 26.982 > 103 104 Al 0.33333333333333 0.56494953767398 0.12500000000000 26.982 > 103 105 Al 0.66666666666667 0.56494953767398 0.12500000000000 26.982 > 103 106 Al 0.00000000000000 0.56494953767398 0.62500000000000 26.982 > 103 107 Al 0.33333333333333 0.56494953767398 0.62500000000000 26.982 > 103 108 Al 0.66666666666667 0.56494953767398 0.62500000000000 26.982 > 103 109 Al 0.16666666666667 0.06494953767398 0.12500000000000 26.982 > 109 110 Al 0.50000000000000 0.06494953767398 0.12500000000000 26.982 > 109 111 Al 0.83333333333333 0.06494953767398 0.12500000000000 26.982 > 109 112 Al 0.16666666666667 0.06494953767398 0.62500000000000 26.982 > 109 113 Al 0.50000000000000 0.06494953767398 0.62500000000000 26.982 > 109 114 Al 0.83333333333333 0.06494953767398 0.62500000000000 26.982 > 109 115 Al 0.00000000000000 0.43505046232602 0.37500000000000 26.982 > 115 116 Al 0.33333333333333 0.43505046232602 0.37500000000000 26.982 > 115 117 Al 0.66666666666667 0.43505046232602 0.37500000000000 26.982 > 115 118 Al 0.00000000000000 0.43505046232602 0.87500000000000 26.982 > 115 119 Al 0.33333333333333 0.43505046232602 0.87500000000000 26.982 > 115 120 Al 0.66666666666667 0.43505046232602 0.87500000000000 26.982 > 115 121 Ta 0.16666666666667 0.66874843024455 0.37500000000000 180.948 > 121 122 Ta 0.50000000000000 0.66874843024455 0.37500000000000 180.948 > 121 123 Ta 0.83333333333333 0.66874843024455 0.37500000000000 180.948 > 121 124 Ta 0.16666666666667 0.66874843024455 0.87500000000000 180.948 > 121 125 Ta 0.50000000000000 0.66874843024455 0.87500000000000 180.948 > 121 126 Ta 0.83333333333333 0.66874843024455 0.87500000000000 180.948 > 121 127 Ta 0.00000000000000 0.83125156975545 0.12500000000000 180.948 > 127 128 Ta 0.33333333333333 0.83125156975545 0.12500000000000 180.948 > 127 129 Ta 0.66666666666667 0.83125156975545 0.12500000000000 180.948 > 127 130 Ta 0.00000000000000 0.83125156975545 0.62500000000000 180.948 > 127 131 Ta 0.33333333333333 0.83125156975545 0.62500000000000 180.948 > 127 132 Ta 0.66666666666667 0.83125156975545 0.62500000000000 180.948 > 127 133 Ta 0.16666666666667 0.33125156975545 0.12500000000000 180.948 > 133 134 Ta 0.50000000000000 0.33125156975545 0.12500000000000 180.948 > 133 135 Ta 0.83333333333333 0.33125156975545 0.12500000000000 180.948 > 133 136 Ta 0.16666666666667 0.33125156975545 0.62500000000000 180.948 > 133 137 Ta 0.50000000000000 0.33125156975545 0.62500000000000 180.948 > 133 138 Ta 0.83333333333333 0.33125156975545 0.62500000000000 180.948 > 133 139 Ta 0.00000000000000 0.16874843024455 0.37500000000000 180.948 > 139 140 Ta 0.33333333333333 0.16874843024455 0.37500000000000 180.948 > 139 141 Ta 0.66666666666667 0.16874843024455 0.37500000000000 180.948 > 139 142 Ta 0.00000000000000 0.16874843024455 0.87500000000000 180.948 > 139 143 Ta 0.33333333333333 0.16874843024455 0.87500000000000 180.948 > 139 144 Ta 0.66666666666667 0.16874843024455 0.87500000000000 180.948 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 5.2807835 0.0000000 0.0000000 0.0000000 4.6368118 0.0000000 0.0000000 0.0000000 4.9345042-------------------------- Born effective charges -------------------------- 1 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 2 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 3 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 4 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 5 O -2.6102922 1.1815883 0.7224321 1.1329546 -2.6350768 -0.5414671 0.7754139 -0.5226205 -2.0747288 6 O -2.6102922 -1.1815883 -0.7224321 -1.1329546 -2.6350768 -0.5414671 -0.7754139 -0.5226205 -2.0747288 7 O -2.6102922 1.1815883 -0.7224321 1.1329546 -2.6350768 0.5414671 -0.7754139 0.5226205 -2.0747288 8 O -2.6102922 -1.1815883 0.7224321 -1.1329546 -2.6350768 0.5414671 0.7754139 0.5226205 -2.0747288 9 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 10 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 11 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 12 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 13 O -2.8563987 0.8743793 1.6269940 0.4674392 -2.2094579 -0.4638083 1.5321425 -0.6368052 -3.0497764 14 O -2.8563987 -0.8743793 -1.6269940 -0.4674392 -2.2094579 -0.4638083 -1.5321425 -0.6368052 -3.0497764 15 O -2.8563987 0.8743793 -1.6269940 0.4674392 -2.2094579 0.4638083 -1.5321425 0.6368052 -3.0497764 16 O -2.8563987 -0.8743793 1.6269940 -0.4674392 -2.2094579 0.4638083 1.5321425 0.6368052 -3.0497764 17 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 18 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 19 Al 3.6283871 0.0000000 -0.1574397 0.0000000 3.7793012 0.0000000 -0.2825179 0.0000000 3.2881512 20 Al 3.6283871 0.0000000 0.1574397 0.0000000 3.7793012 0.0000000 0.2825179 0.0000000 3.2881512 21 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 22 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593 23 Ta 7.3049946 0.0000000 -0.3695236 0.0000000 5.9097682 0.0000000 0.1003093 0.0000000 6.9608593 24 Ta 7.3049946 0.0000000 0.3695236 0.0000000 5.9097682 0.0000000 -0.1003093 0.0000000 6.9608593----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 11 4 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: 0.67, Number of G-points: 289, Lambda: 0.15Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/108) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency 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 2.654 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.486 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.783 ( 0.000 0.000 0.000) 0.000 5.070 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 6.009 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.390 ( 0.000 0.000 0.000) 0.000 8.452 ( 0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.252 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.437 ( 0.000 0.000 0.000) 0.000 11.074 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 0.000) 0.000 12.075 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.280 ( 0.000 0.000 0.000) 0.000 12.486 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.841 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 13.049 ( 0.000 0.000 0.000) 0.000 13.095 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.303 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.416 ( 0.000 0.000 0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.767 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.738 ( 0.000 0.000 0.000) 0.000 15.789 ( 0.000 0.000 0.000) 0.000 15.985 ( 0.000 0.000 0.000) 0.000 15.988 ( 0.000 0.000 0.000) 0.000 15.993 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.263 ( 0.000 0.000 0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.647 ( 0.000 0.000 0.000) 0.000 17.810 ( 0.000 0.000 0.000) 0.000 18.579 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.723 ( 0.000 0.000 0.000) 0.000 18.743 ( 0.000 0.000 0.000) 0.000 18.867 ( 0.000 0.000 0.000) 0.000 22.045 ( 0.000 0.000 0.000) 0.000 22.095 ( 0.000 0.000 0.000) 0.000 23.302 ( 0.000 0.000 0.000) 0.000 24.851 ( 0.000 0.000 0.000) 0.000 24.938 ( 0.000 0.000 0.000) 0.000 25.154 ( 0.000 0.000 0.000) 0.000 25.640 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/108) =======================q-point: ( 0.09 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 40.032 0.000 0.000) 40.032 1.068 ( 50.553 0.000 0.000) 50.553 1.450 ( 70.182 0.000 0.000) 70.182 2.814 ( 14.975 0.000 0.000) 14.975 3.179 ( -6.731 0.000 0.000) 6.731 3.478 ( -1.441 0.000 0.000) 1.441 3.938 ( -5.287 0.000 0.000) 5.287 4.518 ( 0.178 0.000 0.000) 0.178 4.756 ( -1.252 0.000 0.000) 1.252 5.016 ( -4.412 0.000 0.000) 4.412 5.404 ( 9.052 0.000 0.000) 9.052 5.614 ( -3.501 0.000 0.000) 3.501 6.173 ( 14.001 0.000 0.000) 14.001 6.574 ( 22.955 0.000 0.000) 22.955 7.522 ( 8.258 0.000 0.000) 8.258 7.537 ( -2.482 0.000 0.000) 2.482 8.006 ( 3.447 0.000 0.000) 3.447 8.236 ( -0.840 0.000 0.000) 0.840 8.309 ( -11.699 0.000 0.000) 11.699 8.644 ( -1.842 0.000 0.000) 1.842 8.960 ( 7.068 0.000 0.000) 7.068 9.795 ( 4.113 0.000 0.000) 4.113 9.914 ( 0.559 0.000 0.000) 0.559 10.015 ( -16.117 0.000 0.000) 16.117 10.137 ( 1.358 0.000 0.000) 1.358 10.246 ( -11.831 0.000 0.000) 11.831 10.613 ( 10.312 0.000 0.000) 10.312 10.856 ( 1.577 0.000 0.000) 1.577 11.129 ( 5.890 0.000 0.000) 5.890 11.486 ( -11.765 0.000 0.000) 11.765 12.051 ( -11.597 0.000 0.000) 11.597 12.225 ( -5.675 0.000 0.000) 5.675 12.469 ( -7.081 0.000 0.000) 7.081 12.510 ( 1.221 0.000 0.000) 1.221 12.734 ( -8.357 0.000 0.000) 8.357 12.860 ( -4.578 0.000 0.000) 4.578 12.863 ( -4.477 0.000 0.000) 4.477 13.200 ( 5.776 0.000 0.000) 5.776 13.376 ( -3.157 0.000 0.000) 3.157 13.395 ( -0.316 0.000 0.000) 0.316 13.456 ( 13.638 0.000 0.000) 13.638 13.488 ( 18.567 0.000 0.000) 18.567 13.610 ( 0.322 0.000 0.000) 0.322 13.878 ( 6.622 0.000 0.000) 6.622 14.033 ( -12.874 0.000 0.000) 12.874 14.201 ( 5.627 0.000 0.000) 5.627 14.604 ( 0.273 0.000 0.000) 0.273 14.834 ( 6.521 0.000 0.000) 6.521 15.377 ( -1.082 0.000 0.000) 1.082 15.544 ( -13.296 0.000 0.000) 13.296 15.826 ( 3.241 0.000 0.000) 3.241 15.983 ( -0.679 0.000 0.000) 0.679 16.006 ( 1.309 0.000 0.000) 1.309 16.144 ( 10.616 0.000 0.000) 10.616 16.246 ( -1.322 0.000 0.000) 1.322 16.275 ( 6.001 0.000 0.000) 6.001 17.469 ( -2.912 0.000 0.000) 2.912 17.563 ( 1.236 0.000 0.000) 1.236 17.564 ( -17.305 0.000 0.000) 17.305 17.691 ( 4.140 0.000 0.000) 4.140 18.572 ( -1.003 0.000 0.000) 1.003 18.694 ( -4.722 0.000 0.000) 4.722 18.774 ( 5.645 0.000 0.000) 5.645 18.878 ( 1.206 0.000 0.000) 1.206 21.773 ( -25.800 0.000 0.000) 25.800 22.003 ( -9.179 0.000 0.000) 9.179 23.461 ( 13.248 0.000 0.000) 13.248 24.830 ( -1.905 0.000 0.000) 1.905 24.955 ( 1.829 0.000 0.000) 1.829 25.174 ( 2.234 0.000 0.000) 2.234 25.209 ( 0.387 0.000 0.000) 0.387 25.609 ( -2.847 0.000 0.000) 2.847======================= Grid point 2 (3/108) =======================q-point: ( 0.18 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.612 ( 37.041 0.000 0.000) 37.041 2.019 ( 42.383 0.000 0.000) 42.383 2.824 ( 64.098 0.000 0.000) 64.098 3.049 ( -4.424 0.000 0.000) 4.424 3.216 ( 23.434 0.000 0.000) 23.434 3.421 ( -3.724 0.000 0.000) 3.724 3.781 ( -9.420 0.000 0.000) 9.420 4.543 ( 2.172 0.000 0.000) 2.172 4.789 ( 5.379 0.000 0.000) 5.379 4.884 ( -8.940 0.000 0.000) 8.940 5.491 ( -9.009 0.000 0.000) 9.009 5.542 ( 4.218 0.000 0.000) 4.218 6.481 ( 14.507 0.000 0.000) 14.507 7.131 ( 27.826 0.000 0.000) 27.826 7.435 ( -8.209 0.000 0.000) 8.209 7.737 ( 11.786 0.000 0.000) 11.786 8.058 ( -11.434 0.000 0.000) 11.434 8.121 ( 7.933 0.000 0.000) 7.933 8.254 ( 3.574 0.000 0.000) 3.574 8.608 ( -1.250 0.000 0.000) 1.250 9.115 ( 7.956 0.000 0.000) 7.956 9.666 ( -17.635 0.000 0.000) 17.635 9.774 ( -4.778 0.000 0.000) 4.778 9.893 ( -17.451 0.000 0.000) 17.451 9.948 ( -0.147 0.000 0.000) 0.147 10.225 ( 3.420 0.000 0.000) 3.420 10.802 ( 8.134 0.000 0.000) 8.134 10.901 ( 2.870 0.000 0.000) 2.870 11.207 ( -14.550 0.000 0.000) 14.550 11.300 ( 9.052 0.000 0.000) 9.052 11.794 ( -12.761 0.000 0.000) 12.761 12.039 ( -12.445 0.000 0.000) 12.445 12.193 ( -16.519 0.000 0.000) 16.519 12.524 ( -0.411 0.000 0.000) 0.411 12.564 ( -8.049 0.000 0.000) 8.049 12.808 ( -1.490 0.000 0.000) 1.490 12.889 ( 3.312 0.000 0.000) 3.312 13.203 ( -12.061 0.000 0.000) 12.061 13.335 ( 8.742 0.000 0.000) 8.742 13.501 ( 12.843 0.000 0.000) 12.843 13.592 ( -10.605 0.000 0.000) 10.605 13.639 ( 0.958 0.000 0.000) 0.958 13.741 ( 13.160 0.000 0.000) 13.160 14.053 ( 9.617 0.000 0.000) 9.617 14.078 ( 20.386 0.000 0.000) 20.386 14.320 ( 5.378 0.000 0.000) 5.378 14.512 ( -8.482 0.000 0.000) 8.482 15.022 ( 11.458 0.000 0.000) 11.458 15.290 ( -10.530 0.000 0.000) 10.530 15.344 ( -2.122 0.000 0.000) 2.122 15.853 ( -3.638 0.000 0.000) 3.638 15.994 ( 4.061 0.000 0.000) 4.061 16.044 ( 2.287 0.000 0.000) 2.287 16.231 ( 0.171 0.000 0.000) 0.171 16.354 ( 9.841 0.000 0.000) 9.841 16.448 ( 10.435 0.000 0.000) 10.435 17.288 ( -8.506 0.000 0.000) 8.506 17.381 ( -5.651 0.000 0.000) 5.651 17.607 ( 3.228 0.000 0.000) 3.228 17.797 ( 5.596 0.000 0.000) 5.596 18.520 ( -4.574 0.000 0.000) 4.574 18.563 ( -7.679 0.000 0.000) 7.679 18.801 ( -2.931 0.000 0.000) 2.931 18.923 ( 3.458 0.000 0.000) 3.458 21.073 ( -40.572 0.000 0.000) 40.572 21.721 ( -18.435 0.000 0.000) 18.435 23.719 ( 9.880 0.000 0.000) 9.880 24.770 ( -4.515 0.000 0.000) 4.515 25.020 ( 4.788 0.000 0.000) 4.788 25.207 ( -0.538 0.000 0.000) 0.538 25.251 ( 5.283 0.000 0.000) 5.283 25.533 ( -4.344 0.000 0.000) 4.344======================= Grid point 3 (4/108) =======================q-point: ( 0.27 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.311 ( 31.363 0.000 0.000) 31.363 2.771 ( 30.458 0.000 0.000) 30.458 3.037 ( 4.459 0.000 0.000) 4.459 3.360 ( -1.369 0.000 0.000) 1.369 3.544 ( -8.438 0.000 0.000) 8.438 3.724 ( 25.695 0.000 0.000) 25.695 4.063 ( 51.716 0.000 0.000) 51.716 4.588 ( 2.074 0.000 0.000) 2.074 4.656 ( -13.109 0.000 0.000) 13.109 4.991 ( 14.404 0.000 0.000) 14.404 5.237 ( -15.970 0.000 0.000) 15.970 5.568 ( -2.059 0.000 0.000) 2.059 6.719 ( 8.417 0.000 0.000) 8.417 7.200 ( -14.154 0.000 0.000) 14.154 7.602 ( 17.705 0.000 0.000) 17.705 7.890 ( -4.703 0.000 0.000) 4.703 7.948 ( 7.832 0.000 0.000) 7.832 8.309 ( 9.300 0.000 0.000) 9.300 8.410 ( 11.918 0.000 0.000) 11.918 8.611 ( 1.883 0.000 0.000) 1.883 9.275 ( 7.449 0.000 0.000) 7.449 9.328 ( -14.552 0.000 0.000) 14.552 9.597 ( -10.201 0.000 0.000) 10.201 9.631 ( -9.123 0.000 0.000) 9.123 9.888 ( -4.500 0.000 0.000) 4.500 10.269 ( -0.205 0.000 0.000) 0.205 10.929 ( -11.799 0.000 0.000) 11.799 10.935 ( 4.709 0.000 0.000) 4.709 10.970 ( 3.868 0.000 0.000) 3.868 11.401 ( -0.392 0.000 0.000) 0.392 11.561 ( -9.650 0.000 0.000) 9.650 11.742 ( -16.151 0.000 0.000) 16.151 11.884 ( -12.659 0.000 0.000) 12.659 12.387 ( -10.067 0.000 0.000) 10.067 12.496 ( -1.608 0.000 0.000) 1.608 12.770 ( -2.616 0.000 0.000) 2.616 12.902 ( -3.577 0.000 0.000) 3.577 12.944 ( -12.388 0.000 0.000) 12.388 13.390 ( -6.233 0.000 0.000) 6.233 13.584 ( 16.188 0.000 0.000) 16.188 13.631 ( -1.709 0.000 0.000) 1.709 13.910 ( 24.915 0.000 0.000) 24.915 13.983 ( 10.916 0.000 0.000) 10.916 14.218 ( 5.518 0.000 0.000) 5.518 14.320 ( -8.303 0.000 0.000) 8.303 14.405 ( 2.996 0.000 0.000) 2.996 14.553 ( 23.078 0.000 0.000) 23.078 15.155 ( -2.186 0.000 0.000) 2.186 15.273 ( 11.954 0.000 0.000) 11.954 15.292 ( -2.273 0.000 0.000) 2.273 15.694 ( -10.804 0.000 0.000) 10.804 16.094 ( 2.580 0.000 0.000) 2.580 16.113 ( 6.097 0.000 0.000) 6.097 16.239 ( -0.190 0.000 0.000) 0.190 16.537 ( 8.037 0.000 0.000) 8.037 16.660 ( 9.183 0.000 0.000) 9.183 17.218 ( 1.258 0.000 0.000) 1.258 17.249 ( -6.936 0.000 0.000) 6.936 17.700 ( 5.945 0.000 0.000) 5.945 17.863 ( -1.195 0.000 0.000) 1.195 18.378 ( -9.351 0.000 0.000) 9.351 18.431 ( -3.258 0.000 0.000) 3.258 18.680 ( -8.276 0.000 0.000) 8.276 19.033 ( 7.723 0.000 0.000) 7.723 20.233 ( -39.579 0.000 0.000) 39.579 21.269 ( -25.399 0.000 0.000) 25.399 23.828 ( 1.348 0.000 0.000) 1.348 24.621 ( -10.554 0.000 0.000) 10.554 25.148 ( 7.533 0.000 0.000) 7.533 25.203 ( 0.515 0.000 0.000) 0.515 25.375 ( 6.358 0.000 0.000) 6.358 25.445 ( -4.155 0.000 0.000) 4.155======================= Grid point 4 (5/108) =======================q-point: ( 0.36 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.874 ( 23.897 0.000 0.000) 23.897 3.044 ( 4.342 0.000 0.000) 4.342 3.367 ( -7.843 0.000 0.000) 7.843 3.387 ( 3.848 0.000 0.000) 3.848 3.438 ( 26.986 0.000 0.000) 26.986 4.233 ( 23.591 0.000 0.000) 23.591 4.380 ( -12.884 0.000 0.000) 12.884 4.517 ( -4.306 0.000 0.000) 4.306 4.863 ( -19.440 0.000 0.000) 19.440 5.051 ( 37.848 0.000 0.000) 37.848 5.334 ( 17.626 0.000 0.000) 17.626 5.446 ( -10.077 0.000 0.000) 10.077 6.817 ( 1.278 0.000 0.000) 1.278 6.913 ( -12.600 0.000 0.000) 12.600 7.867 ( 9.306 0.000 0.000) 9.306 7.868 ( 2.558 0.000 0.000) 2.558 8.043 ( 1.989 0.000 0.000) 1.989 8.402 ( -2.800 0.000 0.000) 2.800 8.687 ( 5.417 0.000 0.000) 5.417 8.707 ( 15.564 0.000 0.000) 15.564 9.156 ( -0.180 0.000 0.000) 0.180 9.399 ( 4.120 0.000 0.000) 4.120 9.429 ( -9.425 0.000 0.000) 9.425 9.487 ( -1.655 0.000 0.000) 1.655 9.800 ( -3.783 0.000 0.000) 3.783 10.160 ( -11.078 0.000 0.000) 11.078 10.791 ( -0.703 0.000 0.000) 0.703 10.987 ( 0.817 0.000 0.000) 0.817 11.058 ( 4.749 0.000 0.000) 4.749 11.293 ( -9.219 0.000 0.000) 9.219 11.411 ( -5.620 0.000 0.000) 5.620 11.412 ( -15.510 0.000 0.000) 15.510 11.708 ( -4.163 0.000 0.000) 4.163 12.147 ( -13.027 0.000 0.000) 13.027 12.485 ( 0.736 0.000 0.000) 0.736 12.698 ( -4.321 0.000 0.000) 4.321 12.731 ( -8.172 0.000 0.000) 8.172 12.755 ( -8.764 0.000 0.000) 8.764 13.355 ( 1.470 0.000 0.000) 1.470 13.576 ( -3.519 0.000 0.000) 3.519 13.985 ( 21.904 0.000 0.000) 21.904 14.198 ( 11.004 0.000 0.000) 11.004 14.201 ( -3.074 0.000 0.000) 3.074 14.264 ( -0.544 0.000 0.000) 0.544 14.359 ( 10.984 0.000 0.000) 10.984 14.492 ( 11.997 0.000 0.000) 11.997 14.972 ( 17.117 0.000 0.000) 17.117 15.189 ( 4.349 0.000 0.000) 4.349 15.213 ( -4.807 0.000 0.000) 4.807 15.432 ( -14.980 0.000 0.000) 14.980 15.523 ( 11.519 0.000 0.000) 11.519 16.149 ( 2.832 0.000 0.000) 2.832 16.152 ( -5.257 0.000 0.000) 5.257 16.243 ( 2.390 0.000 0.000) 2.390 16.676 ( 5.514 0.000 0.000) 5.514 16.785 ( 2.976 0.000 0.000) 2.976 17.136 ( -2.728 0.000 0.000) 2.728 17.329 ( 9.115 0.000 0.000) 9.115 17.708 ( -12.768 0.000 0.000) 12.768 17.840 ( 7.056 0.000 0.000) 7.056 18.156 ( -11.420 0.000 0.000) 11.420 18.478 ( 7.069 0.000 0.000) 7.069 18.490 ( -9.947 0.000 0.000) 9.947 19.219 ( 6.416 0.000 0.000) 6.416 19.565 ( -21.004 0.000 0.000) 21.004 20.721 ( -27.819 0.000 0.000) 27.819 23.823 ( -0.325 0.000 0.000) 0.325 24.352 ( -15.004 0.000 0.000) 15.004 25.230 ( 1.939 0.000 0.000) 1.939 25.311 ( 8.031 0.000 0.000) 8.031 25.370 ( -3.109 0.000 0.000) 3.109 25.485 ( 3.970 0.000 0.000) 3.970======================= Grid point 5 (6/108) =======================q-point: ( 0.45 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.129 ( 4.406 0.000 0.000) 4.406 3.230 ( -5.740 0.000 0.000) 5.740 3.276 ( 15.316 0.000 0.000) 15.316 3.451 ( -0.814 0.000 0.000) 0.814 3.947 ( 22.394 0.000 0.000) 22.394 4.214 ( -0.465 0.000 0.000) 0.465 4.325 ( -14.316 0.000 0.000) 14.316 4.392 ( -13.916 0.000 0.000) 13.916 4.778 ( 18.606 0.000 0.000) 18.606 5.165 ( -17.192 0.000 0.000) 17.192 5.599 ( 14.042 0.000 0.000) 14.042 5.626 ( 9.011 0.000 0.000) 9.011 6.748 ( -2.524 0.000 0.000) 2.524 6.784 ( -3.642 0.000 0.000) 3.642 7.990 ( 9.217 0.000 0.000) 9.217 8.003 ( 4.293 0.000 0.000) 4.293 8.052 ( -0.855 0.000 0.000) 0.855 8.220 ( -12.225 0.000 0.000) 12.225 8.818 ( 7.015 0.000 0.000) 7.015 8.914 ( 1.051 0.000 0.000) 1.051 9.278 ( 8.831 0.000 0.000) 8.831 9.355 ( 4.789 0.000 0.000) 4.789 9.414 ( -3.209 0.000 0.000) 3.209 9.468 ( -2.220 0.000 0.000) 2.220 9.753 ( 0.153 0.000 0.000) 0.153 9.884 ( -13.006 0.000 0.000) 13.006 10.876 ( 7.834 0.000 0.000) 7.834 11.013 ( 2.972 0.000 0.000) 2.972 11.075 ( -11.115 0.000 0.000) 11.115 11.133 ( -6.339 0.000 0.000) 6.339 11.178 ( 2.195 0.000 0.000) 2.195 11.295 ( -6.184 0.000 0.000) 6.184 11.721 ( 5.082 0.000 0.000) 5.082 11.892 ( -11.183 0.000 0.000) 11.183 12.526 ( 3.140 0.000 0.000) 3.140 12.606 ( -4.517 0.000 0.000) 4.517 12.616 ( -3.033 0.000 0.000) 3.033 12.620 ( -3.640 0.000 0.000) 3.640 13.412 ( 3.702 0.000 0.000) 3.702 13.495 ( -4.258 0.000 0.000) 4.258 14.186 ( 1.120 0.000 0.000) 1.120 14.227 ( -2.448 0.000 0.000) 2.448 14.295 ( 7.553 0.000 0.000) 7.553 14.389 ( -2.217 0.000 0.000) 2.217 14.560 ( 23.872 0.000 0.000) 23.872 14.809 ( 11.066 0.000 0.000) 11.066 15.085 ( -17.535 0.000 0.000) 17.535 15.086 ( -7.770 0.000 0.000) 7.770 15.221 ( 7.129 0.000 0.000) 7.129 15.268 ( 1.888 0.000 0.000) 1.888 15.746 ( 10.818 0.000 0.000) 10.818 15.971 ( -10.998 0.000 0.000) 10.998 16.210 ( 3.058 0.000 0.000) 3.058 16.259 ( -1.254 0.000 0.000) 1.254 16.761 ( 3.004 0.000 0.000) 3.004 16.801 ( -0.832 0.000 0.000) 0.832 17.184 ( 7.668 0.000 0.000) 7.668 17.419 ( -14.203 0.000 0.000) 14.203 17.556 ( 12.564 0.000 0.000) 12.564 17.814 ( -11.546 0.000 0.000) 11.546 18.095 ( 7.566 0.000 0.000) 7.566 18.286 ( -10.036 0.000 0.000) 10.036 18.677 ( 12.199 0.000 0.000) 12.199 18.978 ( -17.575 0.000 0.000) 17.575 19.692 ( 20.154 0.000 0.000) 20.154 20.169 ( -25.895 0.000 0.000) 25.895 23.868 ( 5.543 0.000 0.000) 5.543 24.058 ( -12.786 0.000 0.000) 12.786 25.273 ( 2.134 0.000 0.000) 2.134 25.317 ( -2.278 0.000 0.000) 2.278 25.453 ( 5.517 0.000 0.000) 5.517 25.520 ( -0.803 0.000 0.000) 0.803======================= Grid point 11 (7/108) =======================q-point: ( 0.00 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( 0.000 38.463 0.000) 38.463 0.897 ( 0.000 37.976 0.000) 37.976 1.647 ( 0.000 72.120 0.000) 72.120 2.440 ( 0.000 -17.735 0.000) 17.735 2.683 ( 0.000 -31.311 0.000) 31.311 3.949 ( 0.000 20.250 0.000) 20.250 4.009 ( 0.000 6.924 0.000) 6.924 4.283 ( 0.000 -40.347 0.000) 40.347 4.653 ( 0.000 11.167 0.000) 11.167 4.868 ( 0.000 -11.021 0.000) 11.021 5.203 ( 0.000 -17.085 0.000) 17.085 5.218 ( 0.000 -7.225 0.000) 7.225 5.860 ( 0.000 10.283 0.000) 10.283 6.242 ( 0.000 -6.024 0.000) 6.024 6.409 ( 0.000 28.315 0.000) 28.315 7.478 ( 0.000 -0.588 0.000) 0.588 8.020 ( 0.000 2.428 0.000) 2.428 8.128 ( 0.000 -16.993 0.000) 16.993 8.302 ( 0.000 3.889 0.000) 3.889 8.440 ( 0.000 -1.305 0.000) 1.305 9.686 ( 0.000 -1.383 0.000) 1.383 9.718 ( 0.000 0.671 0.000) 0.671 9.845 ( 0.000 -4.769 0.000) 4.769 10.016 ( 0.000 -12.695 0.000) 12.695 10.187 ( 0.000 1.205 0.000) 1.205 10.221 ( 0.000 -1.577 0.000) 1.577 10.653 ( 0.000 17.031 0.000) 17.031 10.664 ( 0.000 14.981 0.000) 14.981 11.099 ( 0.000 -0.325 0.000) 0.325 11.585 ( 0.000 -19.869 0.000) 19.869 12.108 ( 0.000 2.419 0.000) 2.419 12.239 ( 0.000 -7.882 0.000) 7.882 12.245 ( 0.000 3.885 0.000) 3.885 12.349 ( 0.000 2.225 0.000) 2.225 12.759 ( 0.000 9.268 0.000) 9.268 12.923 ( 0.000 5.910 0.000) 5.910 12.980 ( 0.000 -4.605 0.000) 4.605 13.089 ( 0.000 -2.474 0.000) 2.474 13.131 ( 0.000 3.666 0.000) 3.666 13.296 ( 0.000 -0.750 0.000) 0.750 13.496 ( 0.000 9.721 0.000) 9.721 13.505 ( 0.000 6.030 0.000) 6.030 13.626 ( 0.000 -0.367 0.000) 0.367 14.018 ( 0.000 -9.735 0.000) 9.735 14.079 ( 0.000 -0.695 0.000) 0.695 14.171 ( 0.000 -4.290 0.000) 4.290 14.557 ( 0.000 0.387 0.000) 0.387 14.766 ( 0.000 -9.215 0.000) 9.215 15.548 ( 0.000 10.695 0.000) 10.695 15.733 ( 0.000 -0.211 0.000) 0.211 15.771 ( 0.000 -1.427 0.000) 1.427 15.914 ( 0.000 -5.593 0.000) 5.593 15.987 ( 0.000 2.061 0.000) 2.061 16.072 ( 0.000 4.974 0.000) 4.974 16.192 ( 0.000 -3.656 0.000) 3.656 16.242 ( 0.000 -1.192 0.000) 1.192 17.180 ( 0.000 3.371 0.000) 3.371 17.419 ( 0.000 -5.871 0.000) 5.871 17.866 ( 0.000 3.897 0.000) 3.897 18.007 ( 0.000 -1.931 0.000) 1.931 18.628 ( 0.000 4.071 0.000) 4.071 18.671 ( 0.000 0.506 0.000) 0.506 18.713 ( 0.000 -0.887 0.000) 0.887 18.830 ( 0.000 -3.200 0.000) 3.200 22.053 ( 0.000 0.694 0.000) 0.694 22.089 ( 0.000 -0.576 0.000) 0.576 23.359 ( 0.000 4.995 0.000) 4.995 23.682 ( 0.000 -6.803 0.000) 6.803 24.916 ( 0.000 5.121 0.000) 5.121 25.125 ( 0.000 -2.642 0.000) 2.642 25.557 ( 0.000 0.890 0.000) 0.890 25.622 ( 0.000 -1.443 0.000) 1.443======================= Grid point 12 (8/108) =======================q-point: ( 0.09 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.095 ( 22.735 25.828 0.000) 34.409 1.355 ( 35.934 21.476 0.000) 41.863 2.095 ( 33.579 34.890 0.000) 48.424 2.634 ( -2.952 -30.069 0.000) 30.213 2.707 ( 26.243 -0.337 0.000) 26.245 3.978 ( -0.636 26.237 0.000) 26.245 4.051 ( -3.066 9.445 0.000) 9.930 4.339 ( 3.547 -30.939 0.000) 31.142 4.623 ( -1.213 7.353 0.000) 7.453 4.805 ( 0.709 -18.668 0.000) 18.681 5.380 ( 9.967 -5.539 0.000) 11.403 5.420 ( 2.951 -17.537 0.000) 17.783 6.388 ( 2.866 8.850 0.000) 9.302 6.606 ( 27.511 13.281 0.000) 30.549 6.649 ( 33.220 -30.366 0.000) 45.008 7.699 ( 17.922 3.430 0.000) 18.247 8.052 ( 3.278 2.352 0.000) 4.034 8.166 ( 1.510 -23.447 0.000) 23.495 8.267 ( -2.434 2.041 0.000) 3.177 8.344 ( -3.468 -4.346 0.000) 5.560 9.323 ( -17.128 14.236 0.000) 22.272 9.756 ( -6.057 -8.960 0.000) 10.815 9.806 ( 6.547 2.467 0.000) 6.997 10.140 ( -6.291 5.018 0.000) 8.047 10.208 ( 0.183 2.461 0.000) 2.468 10.264 ( 1.076 -7.218 0.000) 7.298 10.707 ( 4.171 10.732 0.000) 11.513 10.719 ( 5.090 3.133 0.000) 5.977 11.153 ( 5.074 -1.270 0.000) 5.231 11.459 ( -10.078 -10.091 0.000) 14.262 12.082 ( -12.075 2.166 0.000) 12.267 12.108 ( -9.231 -4.110 0.000) 10.105 12.271 ( 0.036 -4.053 0.000) 4.053 12.557 ( 13.296 -12.023 0.000) 17.926 12.768 ( -0.406 7.761 0.000) 7.771 12.862 ( -0.339 -0.069 0.000) 0.346 12.892 ( -7.477 5.410 0.000) 9.229 13.092 ( 7.224 1.667 0.000) 7.414 13.250 ( 0.334 -5.989 0.000) 5.998 13.386 ( 12.699 -2.296 0.000) 12.905 13.533 ( 4.649 4.410 0.000) 6.408 13.547 ( 3.556 11.013 0.000) 11.573 13.645 ( 1.643 1.844 0.000) 2.470 13.995 ( -3.843 1.561 0.000) 4.148 14.010 ( -10.614 -1.907 0.000) 10.784 14.078 ( 4.026 -9.745 0.000) 10.544 14.596 ( 1.372 -0.672 0.000) 1.528 14.749 ( 2.528 -8.008 0.000) 8.398 15.486 ( -4.171 7.622 0.000) 8.688 15.646 ( -8.470 8.451 0.000) 11.965 15.771 ( 0.236 -4.826 0.000) 4.832 15.933 ( 1.148 -3.225 0.000) 3.423 15.987 ( 1.025 -0.823 0.000) 1.314 16.167 ( -2.813 -6.343 0.000) 6.939 16.192 ( 9.938 3.676 0.000) 10.596 16.301 ( 6.574 0.706 0.000) 6.612 17.359 ( 11.911 -5.337 0.000) 13.052 17.411 ( -0.973 -3.728 0.000) 3.853 17.616 ( -17.223 3.375 0.000) 17.551 17.750 ( -12.860 -1.034 0.000) 12.902 18.522 ( -3.320 2.851 0.000) 4.376 18.737 ( 1.746 -3.375 0.000) 3.800 18.877 ( 2.130 4.699 0.000) 5.159 18.886 ( 4.809 0.824 0.000) 4.879 21.808 ( -23.206 2.974 0.000) 23.396 21.964 ( -11.586 -2.895 0.000) 11.942 23.533 ( 14.344 6.467 0.000) 15.734 24.172 ( 25.504 -27.712 0.000) 37.662 24.948 ( 2.244 4.189 0.000) 4.752 25.142 ( 1.752 -2.860 0.000) 3.354 25.470 ( -5.684 5.804 0.000) 8.124 25.593 ( -2.613 -1.442 0.000) 2.984======================= Grid point 13 (9/108) =======================q-point: ( 0.18 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( 33.669 9.515 0.000) 34.988 2.110 ( 35.490 6.414 0.000) 36.065 2.655 ( 6.810 -20.582 0.000) 21.679 2.759 ( 31.045 -8.458 0.000) 32.176 3.427 ( 36.637 18.635 0.000) 41.104 3.824 ( -12.953 20.365 0.000) 24.135 3.942 ( -1.904 14.852 0.000) 14.973 4.424 ( 4.682 -15.270 0.000) 15.972 4.621 ( 0.599 4.211 0.000) 4.253 4.953 ( 11.104 -11.238 0.000) 15.799 5.405 ( -3.977 -6.472 0.000) 7.597 5.506 ( 2.146 -2.978 0.000) 3.670 6.457 ( 4.732 0.398 0.000) 4.748 6.927 ( 1.926 -25.853 0.000) 25.925 7.225 ( 28.162 10.916 0.000) 30.204 7.925 ( 2.235 6.632 0.000) 6.999 8.058 ( -4.417 0.106 0.000) 4.418 8.155 ( 6.287 1.866 0.000) 6.558 8.261 ( 3.587 -0.190 0.000) 3.592 8.542 ( 15.798 -20.034 0.000) 25.514 9.073 ( -8.075 9.109 0.000) 12.173 9.543 ( -12.649 -7.931 0.000) 14.930 9.872 ( -4.094 5.393 0.000) 6.772 10.018 ( -14.693 7.103 0.000) 16.320 10.041 ( -2.549 7.573 0.000) 7.990 10.306 ( 2.565 2.624 0.000) 3.670 10.799 ( 2.457 -3.356 0.000) 4.159 10.806 ( 5.684 3.511 0.000) 6.681 11.227 ( -11.520 -1.733 0.000) 11.649 11.260 ( 3.724 -6.487 0.000) 7.480 11.787 ( -15.772 -1.025 0.000) 15.805 11.871 ( -12.623 -9.921 0.000) 16.055 12.222 ( -6.325 6.295 0.000) 8.924 12.557 ( -7.483 -2.619 0.000) 7.928 12.706 ( -2.101 11.840 0.000) 12.025 12.806 ( -6.386 -0.630 0.000) 6.417 12.871 ( 2.149 -0.232 0.000) 2.161 13.208 ( 2.743 6.949 0.000) 7.471 13.469 ( 12.571 -14.371 0.000) 19.093 13.542 ( -2.577 1.665 0.000) 3.068 13.591 ( 3.419 5.490 0.000) 6.468 13.646 ( 8.784 3.965 0.000) 9.637 13.679 ( 2.729 7.101 0.000) 7.607 13.966 ( 9.144 -8.890 0.000) 12.753 14.038 ( 7.409 -1.598 0.000) 7.579 14.176 ( 6.436 -7.816 0.000) 10.125 14.591 ( -0.703 3.485 0.000) 3.555 14.893 ( 10.697 -10.395 0.000) 14.917 15.349 ( -8.029 5.676 0.000) 9.833 15.533 ( -2.484 14.277 0.000) 14.492 15.779 ( -0.583 -8.477 0.000) 8.497 15.941 ( 0.336 -1.083 0.000) 1.134 16.021 ( 2.197 -1.946 0.000) 2.935 16.121 ( -0.715 -9.105 0.000) 9.133 16.397 ( 9.521 3.197 0.000) 10.043 16.480 ( 9.970 1.261 0.000) 10.049 17.337 ( -7.671 3.914 0.000) 8.612 17.380 ( -3.703 0.373 0.000) 3.722 17.542 ( 3.020 -4.942 0.000) 5.792 17.631 ( 3.061 -11.154 0.000) 11.567 18.430 ( -6.551 3.153 0.000) 7.270 18.719 ( -3.441 -5.988 0.000) 6.906 18.836 ( -4.330 9.936 0.000) 10.839 18.956 ( 2.251 1.529 0.000) 2.721 21.177 ( -36.721 8.710 0.000) 37.740 21.628 ( -21.128 -7.799 0.000) 22.522 23.810 ( 10.668 8.177 0.000) 13.442 24.494 ( 8.614 -20.531 0.000) 22.265 24.958 ( -1.901 2.792 0.000) 3.378 25.192 ( 2.591 -4.832 0.000) 5.482 25.403 ( -0.371 7.693 0.000) 7.702 25.537 ( -2.177 -0.128 0.000) 2.181======================= Grid point 14 (10/108) =======================q-point: ( 0.27 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.369 ( 30.210 5.075 0.000) 30.633 2.714 ( 22.467 -6.907 0.000) 23.505 2.952 ( 22.481 -0.149 0.000) 22.481 3.374 ( 29.498 -17.479 0.000) 34.288 3.554 ( -11.735 9.955 0.000) 15.389 3.572 ( -9.137 2.439 0.000) 9.457 4.460 ( -2.757 -6.845 0.000) 7.380 4.506 ( 42.571 24.172 0.000) 48.955 4.614 ( -1.982 1.016 0.000) 2.228 5.208 ( 14.466 5.721 0.000) 15.556 5.254 ( -10.694 3.221 0.000) 11.169 5.490 ( -3.440 -4.113 0.000) 5.362 6.569 ( 5.719 -10.162 0.000) 11.661 6.862 ( -6.745 -21.792 0.000) 22.812 7.658 ( 14.404 5.286 0.000) 15.343 7.853 ( -3.886 -0.953 0.000) 4.002 8.098 ( 4.045 7.874 0.000) 8.852 8.297 ( 8.244 -1.547 0.000) 8.388 8.432 ( 11.251 2.310 0.000) 11.486 8.784 ( 5.438 7.123 0.000) 8.962 9.026 ( 4.900 -13.934 0.000) 14.771 9.295 ( -10.134 -3.818 0.000) 10.829 9.708 ( -10.279 5.698 0.000) 11.752 9.739 ( -11.255 9.562 0.000) 14.769 9.971 ( -4.732 7.809 0.000) 9.131 10.319 ( -1.944 0.862 0.000) 2.126 10.807 ( -2.533 -4.860 0.000) 5.480 10.918 ( 3.966 -0.292 0.000) 3.976 11.051 ( -3.936 3.750 0.000) 5.436 11.270 ( -2.369 -10.414 0.000) 10.680 11.502 ( -10.551 -3.298 0.000) 11.055 11.614 ( -12.395 -9.520 0.000) 15.629 12.016 ( -12.731 8.697 0.000) 15.418 12.345 ( -12.777 -4.815 0.000) 13.654 12.670 ( -6.134 -0.623 0.000) 6.166 12.704 ( 0.748 15.238 0.000) 15.256 12.870 ( -3.614 -1.022 0.000) 3.756 13.183 ( -5.269 14.076 0.000) 15.030 13.397 ( -6.061 1.577 0.000) 6.262 13.515 ( -0.768 -7.533 0.000) 7.572 13.761 ( 7.278 -3.688 0.000) 8.160 13.844 ( 12.640 3.654 0.000) 13.157 13.925 ( 8.257 -9.634 0.000) 12.688 14.116 ( 11.567 -1.172 0.000) 11.626 14.213 ( 8.534 0.907 0.000) 8.582 14.435 ( 15.510 -4.720 0.000) 16.212 14.620 ( 4.519 6.637 0.000) 8.029 15.144 ( 12.538 -11.204 0.000) 16.815 15.237 ( -1.829 8.377 0.000) 8.575 15.502 ( -0.850 15.113 0.000) 15.137 15.691 ( -7.260 -2.747 0.000) 7.763 16.010 ( 6.093 -5.700 0.000) 8.343 16.071 ( 2.571 -2.143 0.000) 3.348 16.129 ( 0.596 -9.281 0.000) 9.300 16.570 ( 7.426 2.547 0.000) 7.851 16.664 ( 7.253 -0.436 0.000) 7.266 17.265 ( 0.352 3.572 0.000) 3.589 17.291 ( -5.237 4.529 0.000) 6.924 17.553 ( 0.184 -8.788 0.000) 8.790 17.750 ( 4.832 -13.871 0.000) 14.689 18.257 ( -9.614 5.449 0.000) 11.051 18.596 ( -8.065 -6.230 0.000) 10.191 18.752 ( -3.031 12.601 0.000) 12.960 19.027 ( 5.692 -1.433 0.000) 5.869 20.409 ( -36.881 14.446 0.000) 39.609 21.130 ( -27.151 -11.960 0.000) 29.668 23.937 ( 2.375 9.608 0.000) 9.897 24.574 ( -1.077 -9.605 0.000) 9.665 24.886 ( -3.753 -4.004 0.000) 5.488 25.207 ( -1.762 -9.791 0.000) 9.948 25.451 ( 4.604 8.639 0.000) 9.789 25.541 ( 2.976 3.452 0.000) 4.558======================= Grid point 15 (11/108) =======================q-point: ( 0.36 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( 20.967 2.272 0.000) 21.090 3.036 ( 9.150 -1.368 0.000) 9.251 3.392 ( -6.842 1.756 0.000) 7.064 3.402 ( 1.058 1.291 0.000) 1.670 3.491 ( 25.728 4.537 0.000) 26.125 3.944 ( 25.135 -16.552 0.000) 30.096 4.313 ( -10.136 -2.479 0.000) 10.435 4.524 ( -5.505 -4.558 0.000) 7.147 4.934 ( -15.386 6.765 0.000) 16.808 5.342 ( 31.999 20.807 0.000) 38.169 5.348 ( -10.943 -7.459 0.000) 13.243 5.540 ( 16.951 13.547 0.000) 21.699 6.662 ( 2.829 -12.090 0.000) 12.416 6.710 ( -6.941 -14.720 0.000) 16.274 7.823 ( 0.797 -1.500 0.000) 1.699 7.855 ( 5.986 -1.193 0.000) 6.104 8.176 ( 3.715 8.687 0.000) 9.448 8.430 ( 1.859 1.213 0.000) 2.219 8.654 ( 10.776 -1.579 0.000) 10.891 8.836 ( 2.286 10.397 0.000) 10.645 9.172 ( 6.375 -15.936 0.000) 17.164 9.208 ( 2.555 1.084 0.000) 2.776 9.485 ( -10.824 4.935 0.000) 11.895 9.577 ( -5.414 5.850 0.000) 7.971 9.878 ( -3.532 7.549 0.000) 8.334 10.208 ( -8.781 0.492 0.000) 8.794 10.728 ( -3.250 -3.686 0.000) 4.914 10.895 ( -6.031 -7.212 0.000) 9.402 11.065 ( 3.492 2.119 0.000) 4.084 11.241 ( 0.352 -1.886 0.000) 1.919 11.383 ( -1.951 -5.246 0.000) 5.597 11.388 ( -9.032 -2.999 0.000) 9.517 11.750 ( -12.133 5.682 0.000) 13.397 12.062 ( -14.378 -6.307 0.000) 15.700 12.571 ( -3.445 -0.213 0.000) 3.452 12.725 ( 0.721 17.531 0.000) 17.546 12.735 ( -7.323 -2.162 0.000) 7.635 13.038 ( -7.939 13.220 0.000) 15.421 13.335 ( -0.533 0.588 0.000) 0.794 13.483 ( -2.510 -5.420 0.000) 5.973 13.893 ( 4.511 -15.357 0.000) 16.006 13.950 ( -0.597 -16.414 0.000) 16.425 14.123 ( 15.649 6.293 0.000) 16.867 14.367 ( 6.561 4.922 0.000) 8.202 14.410 ( 9.950 2.194 0.000) 10.189 14.695 ( 12.311 5.650 0.000) 13.545 14.771 ( 6.726 -5.390 0.000) 8.619 15.202 ( -0.950 3.269 0.000) 3.405 15.428 ( 12.949 -0.273 0.000) 12.952 15.502 ( 1.224 12.274 0.000) 12.335 15.548 ( -5.278 4.561 0.000) 6.975 16.093 ( -2.756 -4.925 0.000) 5.644 16.124 ( 2.708 -2.051 0.000) 3.397 16.156 ( 4.975 -7.151 0.000) 8.711 16.695 ( 4.843 1.524 0.000) 5.077 16.760 ( 2.443 -1.697 0.000) 2.974 17.178 ( -4.685 4.690 0.000) 6.629 17.334 ( 5.666 0.563 0.000) 5.694 17.514 ( -5.447 -9.295 0.000) 10.774 17.767 ( -3.862 -17.976 0.000) 18.387 18.114 ( -2.274 9.749 0.000) 10.011 18.424 ( -8.217 -4.373 0.000) 9.309 18.749 ( 3.424 14.580 0.000) 14.976 19.204 ( 11.439 -4.285 0.000) 12.216 19.740 ( -27.715 15.935 0.000) 31.970 20.560 ( -28.087 -13.714 0.000) 31.256 23.955 ( 0.742 11.431 0.000) 11.455 24.435 ( -11.284 5.257 0.000) 12.449 24.867 ( 1.810 -16.765 0.000) 16.862 25.133 ( -4.878 -13.989 0.000) 14.816 25.565 ( 5.940 9.189 0.000) 10.941 25.628 ( 4.464 5.569 0.000) 7.137======================= Grid point 16 (12/108) =======================q-point: ( 0.45 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.118 ( 1.640 -0.865 0.000) 1.854 3.140 ( 1.470 -3.444 0.000) 3.745 3.380 ( 6.820 4.594 0.000) 8.224 3.461 ( 1.691 0.444 0.000) 1.748 4.043 ( 26.114 7.525 0.000) 27.176 4.142 ( -3.735 -3.407 0.000) 5.056 4.180 ( -3.825 -7.591 0.000) 8.501 4.539 ( -21.131 9.450 0.000) 23.148 4.632 ( 18.210 -11.523 0.000) 21.549 5.043 ( -18.671 -9.612 0.000) 21.000 5.819 ( 12.022 16.032 0.000) 20.039 5.826 ( 9.158 14.573 0.000) 17.211 6.626 ( -0.443 -9.742 0.000) 9.752 6.666 ( -2.272 -9.812 0.000) 10.071 7.870 ( 3.150 -3.916 0.000) 5.026 7.914 ( -0.148 -4.817 0.000) 4.819 8.261 ( 4.825 11.503 0.000) 12.474 8.369 ( -5.478 9.770 0.000) 11.201 8.862 ( 7.585 -6.127 0.000) 9.751 8.896 ( 2.727 3.145 0.000) 4.163 9.242 ( 0.447 -8.455 0.000) 8.466 9.264 ( -2.994 4.071 0.000) 5.053 9.375 ( 4.397 -1.659 0.000) 4.700 9.478 ( -4.842 0.014 0.000) 4.842 9.865 ( 3.101 8.395 0.000) 8.949 10.006 ( -9.737 6.006 0.000) 11.440 10.701 ( 0.628 -9.135 0.000) 9.157 10.763 ( -5.458 -11.091 0.000) 12.361 11.147 ( 3.878 -0.014 0.000) 3.878 11.215 ( -2.899 1.551 0.000) 3.287 11.289 ( 0.119 5.265 0.000) 5.266 11.357 ( -3.649 2.599 0.000) 4.480 11.621 ( 2.341 -2.306 0.000) 3.286 11.789 ( -11.868 -5.505 0.000) 13.083 12.537 ( 0.265 0.706 0.000) 0.754 12.590 ( -5.135 1.509 0.000) 5.352 12.780 ( 3.888 12.836 0.000) 13.412 12.887 ( -6.555 12.025 0.000) 13.695 13.356 ( 2.342 -1.547 0.000) 2.807 13.419 ( -3.466 -3.235 0.000) 4.741 13.942 ( 0.849 -16.572 0.000) 16.593 13.946 ( 0.077 -15.576 0.000) 15.576 14.462 ( 15.288 -5.252 0.000) 16.165 14.475 ( 4.908 7.427 0.000) 8.902 14.503 ( 0.926 4.187 0.000) 4.289 14.737 ( -8.674 -14.378 0.000) 16.791 14.966 ( 11.178 10.598 0.000) 15.403 15.138 ( -5.728 5.726 0.000) 8.100 15.507 ( 0.515 9.975 0.000) 9.988 15.515 ( 0.498 13.428 0.000) 13.437 15.708 ( 13.307 -1.155 0.000) 13.357 15.955 ( -10.148 -1.319 0.000) 10.234 16.182 ( 2.834 -1.985 0.000) 3.460 16.218 ( 0.142 -2.954 0.000) 2.958 16.766 ( 2.150 0.275 0.000) 2.168 16.784 ( 0.248 -1.346 0.000) 1.368 17.160 ( 4.037 -0.844 0.000) 4.124 17.330 ( -10.924 -5.929 0.000) 12.429 17.474 ( 7.712 -5.892 0.000) 9.706 17.635 ( -7.810 -13.762 0.000) 15.823 18.156 ( 4.828 6.043 0.000) 7.735 18.274 ( -6.564 0.178 0.000) 6.567 18.901 ( 11.455 15.570 0.000) 19.330 19.203 ( -17.136 16.463 0.000) 23.763 19.578 ( 16.946 -9.413 0.000) 19.385 20.017 ( -24.804 -12.915 0.000) 27.965 24.013 ( 5.688 12.399 0.000) 13.642 24.191 ( -11.354 10.911 0.000) 15.747 24.932 ( 4.179 -19.591 0.000) 20.032 25.028 ( -5.131 -17.688 0.000) 18.417 25.665 ( 3.374 8.709 0.000) 9.340 25.689 ( 1.095 7.291 0.000) 7.373======================= Grid point 22 (13/108) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.494 ( 0.000 -1.170 0.000) 1.170 1.494 ( 0.000 1.170 0.000) 1.170 2.114 ( 0.000 -5.929 0.000) 5.929 2.114 ( 0.000 5.929 0.000) 5.929 3.137 ( 0.000 -61.189 0.000) 61.189 3.137 ( 0.000 61.189 0.000) 61.189 4.154 ( 0.000 -2.836 0.000) 2.836 4.154 ( 0.000 2.836 0.000) 2.836 4.852 ( 0.000 -11.483 0.000) 11.483 4.852 ( 0.000 11.483 0.000) 11.483 4.957 ( 0.000 -14.595 0.000) 14.595 4.957 ( 0.000 14.595 0.000) 14.595 6.067 ( 0.000 -8.715 0.000) 8.715 6.067 ( 0.000 8.715 0.000) 8.715 7.102 ( 0.000 -30.294 0.000) 30.294 7.102 ( 0.000 30.294 0.000) 30.294 8.005 ( 0.000 -3.008 0.000) 3.008 8.005 ( 0.000 3.008 0.000) 3.008 8.388 ( 0.000 -3.348 0.000) 3.348 8.388 ( 0.000 3.348 0.000) 3.348 9.755 ( 0.000 -8.529 0.000) 8.529 9.755 ( 0.000 8.529 0.000) 8.529 9.756 ( 0.000 -2.942 0.000) 2.942 9.756 ( 0.000 2.942 0.000) 2.942 10.205 ( 0.000 -0.256 0.000) 0.256 10.205 ( 0.000 0.256 0.000) 0.256 10.971 ( 0.000 -11.179 0.000) 11.179 10.971 ( 0.000 11.179 0.000) 11.179 11.103 ( 0.000 -22.278 0.000) 22.278 11.103 ( 0.000 22.278 0.000) 22.278 12.151 ( 0.000 -1.551 0.000) 1.551 12.151 ( 0.000 1.551 0.000) 1.551 12.333 ( 0.000 -3.132 0.000) 3.132 12.333 ( 0.000 3.132 0.000) 3.132 12.888 ( 0.000 -3.800 0.000) 3.800 12.888 ( 0.000 3.800 0.000) 3.800 13.032 ( 0.000 -3.331 0.000) 3.331 13.032 ( 0.000 3.331 0.000) 3.331 13.239 ( 0.000 -4.600 0.000) 4.600 13.239 ( 0.000 4.600 0.000) 4.600 13.606 ( 0.000 -2.285 0.000) 2.285 13.606 ( 0.000 2.285 0.000) 2.285 13.754 ( 0.000 -12.849 0.000) 12.849 13.754 ( 0.000 12.849 0.000) 12.849 14.086 ( 0.000 -2.167 0.000) 2.167 14.086 ( 0.000 2.167 0.000) 2.167 14.604 ( 0.000 -4.619 0.000) 4.619 14.604 ( 0.000 4.619 0.000) 4.619 15.740 ( 0.000 -1.018 0.000) 1.018 15.740 ( 0.000 1.018 0.000) 1.018 15.764 ( 0.000 -8.168 0.000) 8.168 15.764 ( 0.000 8.168 0.000) 8.168 16.077 ( 0.000 -5.564 0.000) 5.564 16.077 ( 0.000 5.564 0.000) 5.564 16.183 ( 0.000 -4.315 0.000) 4.315 16.183 ( 0.000 4.315 0.000) 4.315 17.284 ( 0.000 -5.760 0.000) 5.760 17.284 ( 0.000 5.760 0.000) 5.760 17.949 ( 0.000 -3.279 0.000) 3.279 17.949 ( 0.000 3.279 0.000) 3.279 18.689 ( 0.000 -1.062 0.000) 1.062 18.689 ( 0.000 1.062 0.000) 1.062 18.735 ( 0.000 -5.020 0.000) 5.020 18.735 ( 0.000 5.020 0.000) 5.020 22.072 ( 0.000 -0.894 0.000) 0.894 22.072 ( 0.000 0.894 0.000) 0.894 23.508 ( 0.000 -7.971 0.000) 7.971 23.508 ( 0.000 7.971 0.000) 7.971 25.037 ( 0.000 -5.137 0.000) 5.137 25.037 ( 0.000 5.137 0.000) 5.137 25.586 ( 0.000 -1.634 0.000) 1.634 25.586 ( 0.000 1.634 0.000) 1.634======================= Grid point 24 (14/108) =======================q-point: ( 0.09 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.662 ( 14.013 -11.138 0.000) 17.900 1.662 ( 14.013 11.138 0.000) 17.900 2.147 ( 8.505 -0.514 0.000) 8.521 2.147 ( 8.505 0.514 0.000) 8.521 3.453 ( 25.588 -45.714 0.000) 52.388 3.453 ( 25.588 45.714 0.000) 52.388 4.312 ( 8.470 -7.150 0.000) 11.084 4.312 ( 8.470 7.150 0.000) 11.084 4.585 ( -12.987 -5.576 0.000) 14.134 4.585 ( -12.987 5.576 0.000) 14.134 5.201 ( 11.857 -1.260 0.000) 11.923 5.201 ( 11.857 1.260 0.000) 11.923 6.393 ( 19.256 -0.028 0.000) 19.256 6.393 ( 19.256 0.028 0.000) 19.256 7.256 ( 17.489 -25.917 0.000) 31.266 7.256 ( 17.489 25.917 0.000) 31.266 8.023 ( 2.309 -4.516 0.000) 5.072 8.023 ( 2.309 4.516 0.000) 5.072 8.306 ( -6.070 -0.244 0.000) 6.075 8.306 ( -6.070 0.244 0.000) 6.075 9.556 ( -10.846 -5.531 0.000) 12.175 9.556 ( -10.846 5.531 0.000) 12.175 9.969 ( 10.056 -5.236 0.000) 11.338 9.969 ( 10.056 5.236 0.000) 11.338 10.214 ( -0.496 -0.961 0.000) 1.082 10.214 ( -0.496 0.961 0.000) 1.082 10.971 ( -0.395 -6.574 0.000) 6.585 10.971 ( -0.395 6.574 0.000) 6.585 11.083 ( -1.449 -17.012 0.000) 17.073 11.083 ( -1.449 17.012 0.000) 17.073 12.106 ( -12.609 -0.090 0.000) 12.610 12.106 ( -12.609 0.090 0.000) 12.610 12.331 ( 8.272 -7.969 0.000) 11.486 12.331 ( 8.272 7.969 0.000) 11.486 12.829 ( -2.028 -0.109 0.000) 2.031 12.829 ( -2.028 0.109 0.000) 2.031 13.081 ( -5.477 -2.057 0.000) 5.850 13.081 ( -5.477 2.057 0.000) 5.850 13.272 ( 11.035 -1.893 0.000) 11.196 13.272 ( 11.035 1.893 0.000) 11.196 13.634 ( 1.292 -3.160 0.000) 3.414 13.634 ( 1.292 3.160 0.000) 3.414 13.810 ( 5.319 -12.317 0.000) 13.416 13.810 ( 5.319 12.317 0.000) 13.416 13.997 ( -6.935 -0.001 0.000) 6.935 13.997 ( -6.935 0.001 0.000) 6.935 14.608 ( 1.410 -1.335 0.000) 1.942 14.608 ( 1.410 1.335 0.000) 1.942 15.638 ( -5.259 -5.753 0.000) 7.795 15.638 ( -5.259 5.753 0.000) 7.795 15.842 ( 2.368 -4.590 0.000) 5.165 15.842 ( 2.368 4.590 0.000) 5.165 16.018 ( -4.193 -1.650 0.000) 4.506 16.018 ( -4.193 1.650 0.000) 4.506 16.274 ( 8.348 -0.916 0.000) 8.398 16.274 ( 8.348 0.916 0.000) 8.398 17.340 ( 4.515 -0.297 0.000) 4.525 17.340 ( 4.515 0.297 0.000) 4.525 17.693 ( -16.695 -0.230 0.000) 16.696 17.693 ( -16.695 0.230 0.000) 16.696 18.632 ( -2.164 -2.392 0.000) 3.225 18.632 ( -2.164 2.392 0.000) 3.225 18.907 ( 6.889 -0.022 0.000) 6.889 18.907 ( 6.889 0.022 0.000) 6.889 21.888 ( -17.351 -1.833 0.000) 17.447 21.888 ( -17.351 1.833 0.000) 17.447 23.748 ( 18.493 -5.331 0.000) 19.246 23.748 ( 18.493 5.331 0.000) 19.246 25.054 ( 1.358 -2.606 0.000) 2.938 25.054 ( 1.358 2.606 0.000) 2.938 25.549 ( -2.857 -1.200 0.000) 3.099 25.549 ( -2.857 1.200 0.000) 3.099======================= Grid point 26 (15/108) =======================q-point: ( 0.18 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.018 ( 21.800 -15.987 0.000) 27.034 2.018 ( 21.800 15.987 0.000) 27.034 2.520 ( 25.214 -7.426 0.000) 26.284 2.520 ( 25.214 7.426 0.000) 26.284 3.843 ( 0.964 -9.439 0.000) 9.488 3.843 ( 0.964 9.439 0.000) 9.488 4.393 ( 11.559 -7.632 0.000) 13.852 4.393 ( 11.559 7.632 0.000) 13.852 4.562 ( 8.509 -0.000 0.000) 8.509 4.562 ( 8.509 0.000 0.000) 8.509 5.376 ( 5.029 -1.950 0.000) 5.394 5.376 ( 5.029 1.950 0.000) 5.394 6.552 ( -0.624 -2.975 0.000) 3.039 6.552 ( -0.624 2.975 0.000) 3.039 7.670 ( 14.545 -25.058 0.000) 28.974 7.670 ( 14.545 25.058 0.000) 28.974 8.141 ( 7.789 -1.289 0.000) 7.895 8.141 ( 7.789 1.289 0.000) 7.895 8.248 ( 5.385 -0.223 0.000) 5.390 8.248 ( 5.385 0.223 0.000) 5.390 9.325 ( -11.310 -8.270 0.000) 14.011 9.325 ( -11.310 8.270 0.000) 14.011 10.025 ( -6.387 -2.641 0.000) 6.911 10.025 ( -6.387 2.641 0.000) 6.911 10.211 ( 1.577 -6.277 0.000) 6.472 10.211 ( 1.577 6.277 0.000) 6.472 10.939 ( -2.490 -3.643 0.000) 4.413 10.939 ( -2.490 3.643 0.000) 4.413 11.066 ( -0.191 -3.601 0.000) 3.606 11.066 ( -0.191 3.601 0.000) 3.606 11.773 ( -17.216 -0.002 0.000) 17.216 11.773 ( -17.216 0.002 0.000) 17.216 12.418 ( -5.148 -5.900 0.000) 7.830 12.418 ( -5.148 5.900 0.000) 7.830 12.805 ( -1.560 -0.003 0.000) 1.560 12.805 ( -1.560 0.003 0.000) 1.560 13.078 ( 7.508 -14.490 0.000) 16.320 13.078 ( 7.508 14.490 0.000) 16.320 13.479 ( 7.159 -12.832 0.000) 14.694 13.479 ( 7.159 12.832 0.000) 14.694 13.599 ( -5.917 -0.049 0.000) 5.918 13.599 ( -5.917 0.049 0.000) 5.918 13.943 ( 5.060 -0.472 0.000) 5.082 13.943 ( 5.060 0.472 0.000) 5.082 13.982 ( 11.598 -2.008 0.000) 11.770 13.982 ( 11.598 2.008 0.000) 11.770 14.681 ( 5.813 -5.214 0.000) 7.809 14.681 ( 5.813 5.214 0.000) 7.809 15.541 ( -3.914 -10.270 0.000) 10.990 15.541 ( -3.914 10.270 0.000) 10.990 15.856 ( -0.543 -13.266 0.000) 13.277 15.856 ( -0.543 13.266 0.000) 13.277 15.970 ( 0.054 -0.433 0.000) 0.436 15.970 ( 0.054 0.433 0.000) 0.436 16.466 ( 9.336 -0.545 0.000) 9.352 16.466 ( 9.336 0.545 0.000) 9.352 17.427 ( 3.367 -1.141 0.000) 3.555 17.427 ( 3.367 1.141 0.000) 3.555 17.444 ( -7.163 -0.778 0.000) 7.205 17.444 ( -7.163 0.778 0.000) 7.205 18.566 ( -4.872 -2.026 0.000) 5.276 18.566 ( -4.872 2.026 0.000) 5.276 18.958 ( -0.534 -0.379 0.000) 0.654 18.958 ( -0.534 0.379 0.000) 0.654 21.410 ( -28.455 -10.258 0.000) 30.247 21.410 ( -28.455 10.258 0.000) 30.247 24.077 ( 11.997 -6.612 0.000) 13.698 24.077 ( 11.997 6.612 0.000) 13.698 25.066 ( -1.046 -3.046 0.000) 3.221 25.066 ( -1.046 3.046 0.000) 3.221 25.510 ( -0.064 -1.001 0.000) 1.003 25.510 ( -0.064 1.001 0.000) 1.003======================= Grid point 28 (16/108) =======================q-point: ( 0.27 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.523 ( 25.893 -6.498 0.000) 26.696 2.523 ( 25.893 6.498 0.000) 26.696 3.070 ( 27.854 -5.740 0.000) 28.439 3.070 ( 27.854 5.740 0.000) 28.439 3.635 ( -13.393 -0.234 0.000) 13.395 3.635 ( -13.393 0.234 0.000) 13.395 4.499 ( -2.691 -5.306 0.000) 5.949 4.499 ( -2.691 5.306 0.000) 5.949 5.013 ( 26.943 -15.144 0.000) 30.907 5.013 ( 26.943 15.144 0.000) 30.907 5.411 ( 0.232 -4.968 0.000) 4.973 5.411 ( 0.232 4.968 0.000) 4.973 6.500 ( -2.686 -1.433 0.000) 3.044 6.500 ( -2.686 1.433 0.000) 3.044 7.799 ( 1.846 -1.175 0.000) 2.188 7.799 ( 1.846 1.175 0.000) 2.188 8.234 ( 5.140 -0.914 0.000) 5.220 8.234 ( 5.140 0.914 0.000) 5.220 8.564 ( 17.125 -9.244 0.000) 19.461 8.564 ( 17.125 9.244 0.000) 19.461 9.128 ( -7.049 -5.935 0.000) 9.215 9.128 ( -7.049 5.935 0.000) 9.215 9.829 ( -10.848 -0.801 0.000) 10.877 9.829 ( -10.848 0.801 0.000) 10.877 10.195 ( -3.678 -6.254 0.000) 7.255 10.195 ( -3.678 6.254 0.000) 7.255 10.871 ( -4.834 -5.451 0.000) 7.286 10.871 ( -4.834 5.451 0.000) 7.286 11.088 ( 2.992 -0.117 0.000) 2.995 11.088 ( 2.992 0.117 0.000) 2.995 11.468 ( -11.916 -0.299 0.000) 11.920 11.468 ( -11.916 0.299 0.000) 11.920 12.197 ( -13.913 -2.699 0.000) 14.173 12.197 ( -13.913 2.699 0.000) 14.173 12.740 ( -4.504 -0.890 0.000) 4.591 12.740 ( -4.504 0.890 0.000) 4.591 13.185 ( -1.149 -15.924 0.000) 15.965 13.185 ( -1.149 15.924 0.000) 15.965 13.488 ( -1.658 -1.097 0.000) 1.988 13.488 ( -1.658 1.097 0.000) 1.988 13.568 ( 1.727 -9.883 0.000) 10.033 13.568 ( 1.727 9.883 0.000) 10.033 14.126 ( 11.451 -5.625 0.000) 12.757 14.126 ( 11.451 5.625 0.000) 12.757 14.267 ( 13.701 -2.933 0.000) 14.012 14.267 ( 13.701 2.933 0.000) 14.012 14.846 ( 10.265 -12.674 0.000) 16.310 14.846 ( 10.265 12.674 0.000) 16.310 15.491 ( -0.895 -11.688 0.000) 11.722 15.491 ( -0.895 11.688 0.000) 11.722 15.845 ( 0.055 -14.475 0.000) 14.475 15.845 ( 0.055 14.475 0.000) 14.475 16.008 ( 3.035 -2.641 0.000) 4.023 16.008 ( 3.035 2.641 0.000) 4.023 16.629 ( 6.526 -0.679 0.000) 6.561 16.629 ( 6.526 0.679 0.000) 6.561 17.376 ( -0.573 -1.461 0.000) 1.570 17.376 ( -0.573 1.461 0.000) 1.570 17.456 ( -0.969 -6.890 0.000) 6.958 17.456 ( -0.969 6.890 0.000) 6.958 18.435 ( -7.338 -2.178 0.000) 7.654 18.435 ( -7.338 2.178 0.000) 7.654 18.950 ( 0.935 -2.335 0.000) 2.516 18.950 ( 0.935 2.335 0.000) 2.516 20.786 ( -31.620 -17.314 0.000) 36.050 20.786 ( -31.620 17.314 0.000) 36.050 24.233 ( 4.181 -7.831 0.000) 8.877 24.233 ( 4.181 7.831 0.000) 8.877 24.990 ( -6.328 -5.483 0.000) 8.373 24.990 ( -6.328 5.483 0.000) 8.373 25.562 ( 4.890 -0.612 0.000) 4.928 25.562 ( 4.890 0.612 0.000) 4.928======================= Grid point 30 (17/108) =======================q-point: ( 0.36 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.972 ( 15.699 -1.123 0.000) 15.739 2.972 ( 15.699 1.123 0.000) 15.739 3.420 ( -5.363 -0.010 0.000) 5.363 3.420 ( -5.363 0.010 0.000) 5.363 3.644 ( 27.902 -4.884 0.000) 28.326 3.644 ( 27.902 4.884 0.000) 28.326 4.368 ( -8.673 -6.598 0.000) 10.898 4.368 ( -8.673 6.598 0.000) 10.898 5.137 ( -11.654 -9.851 0.000) 15.259 5.137 ( -11.654 9.851 0.000) 15.259 5.703 ( 23.685 -1.812 0.000) 23.754 5.703 ( 23.685 1.812 0.000) 23.754 6.471 ( -0.394 -0.040 0.000) 0.396 6.471 ( -0.394 0.040 0.000) 0.396 7.824 ( 1.066 -0.064 0.000) 1.068 7.824 ( 1.066 0.064 0.000) 1.068 8.359 ( 6.639 -2.393 0.000) 7.057 8.359 ( 6.639 2.393 0.000) 7.057 8.785 ( 3.417 -11.515 0.000) 12.011 8.785 ( 3.417 11.515 0.000) 12.011 9.108 ( 5.941 -4.241 0.000) 7.300 9.108 ( 5.941 4.241 0.000) 7.300 9.614 ( -10.310 -1.684 0.000) 10.446 9.614 ( -10.310 1.684 0.000) 10.446 10.095 ( -4.987 -5.423 0.000) 7.368 10.095 ( -4.987 5.423 0.000) 7.368 10.737 ( -7.596 -2.873 0.000) 8.121 10.737 ( -7.596 2.873 0.000) 8.121 11.179 ( 4.638 -3.903 0.000) 6.062 11.179 ( 4.638 3.903 0.000) 6.062 11.301 ( -4.399 -1.497 0.000) 4.646 11.301 ( -4.399 1.497 0.000) 4.646 11.911 ( -13.215 -2.623 0.000) 13.473 11.911 ( -13.215 2.623 0.000) 13.473 12.645 ( -4.236 -1.359 0.000) 4.449 12.645 ( -4.236 1.359 0.000) 4.449 13.071 ( -7.201 -5.554 0.000) 9.094 13.071 ( -7.201 5.554 0.000) 9.094 13.505 ( 0.534 -9.203 0.000) 9.218 13.505 ( 0.534 9.203 0.000) 9.218 13.587 ( 1.535 -8.588 0.000) 8.724 13.587 ( 1.535 8.588 0.000) 8.724 14.339 ( 8.370 -9.913 0.000) 12.974 14.339 ( 8.370 9.913 0.000) 12.974 14.485 ( 7.628 -6.424 0.000) 9.973 14.485 ( 7.628 6.424 0.000) 9.973 15.061 ( 9.290 -12.140 0.000) 15.287 15.061 ( 9.290 12.140 0.000) 15.287 15.509 ( 2.800 -6.620 0.000) 7.187 15.509 ( 2.800 6.620 0.000) 7.187 15.863 ( 1.270 -15.490 0.000) 15.542 15.863 ( 1.270 15.490 0.000) 15.542 16.079 ( 3.941 -0.223 0.000) 3.947 16.079 ( 3.941 0.223 0.000) 3.947 16.729 ( 3.315 -0.290 0.000) 3.327 16.729 ( 3.315 0.290 0.000) 3.327 17.352 ( -5.812 -5.252 0.000) 7.833 17.352 ( -5.812 5.252 0.000) 7.833 17.404 ( -0.524 -5.343 0.000) 5.368 17.404 ( -0.524 5.343 0.000) 5.368 18.310 ( -4.191 -2.045 0.000) 4.664 18.310 ( -4.191 2.045 0.000) 4.664 19.029 ( 7.299 -4.262 0.000) 8.453 19.029 ( 7.299 4.262 0.000) 8.453 20.168 ( -28.471 -16.059 0.000) 32.687 20.168 ( -28.471 16.059 0.000) 32.687 24.287 ( 1.979 -9.582 0.000) 9.784 24.287 ( 1.979 9.582 0.000) 9.784 24.830 ( -8.718 -7.687 0.000) 11.623 24.830 ( -8.718 7.687 0.000) 11.623 25.679 ( 5.765 -0.550 0.000) 5.791 25.679 ( 5.765 0.550 0.000) 5.791======================= Grid point 32 (18/108) =======================q-point: ( 0.45 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 102Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.104 ( 0.250 -0.001 0.000) 0.250 3.104 ( 0.250 0.001 0.000) 0.250 3.450 ( 4.811 -0.564 0.000) 4.844 3.450 ( 4.811 0.564 0.000) 4.844 4.071 ( 3.829 -0.168 0.000) 3.833 4.071 ( 3.829 0.168 0.000) 3.833 4.333 ( 16.489 -12.512 0.000) 20.699 4.333 ( 16.489 12.512 0.000) 20.699 4.788 ( -21.210 -10.279 0.000) 23.569 4.788 ( -21.210 10.279 0.000) 23.569 6.079 ( 10.979 -0.049 0.000) 10.980 6.079 ( 10.979 0.049 0.000) 10.980 6.460 ( -0.871 -0.195 0.000) 0.892 6.460 ( -0.871 0.195 0.000) 0.892 7.842 ( 0.572 -0.191 0.000) 0.603 7.842 ( 0.572 0.191 0.000) 0.603 8.480 ( 4.249 -2.234 0.000) 4.800 8.480 ( 4.249 2.234 0.000) 4.800 8.794 ( -0.586 -5.424 0.000) 5.456 8.794 ( -0.586 5.424 0.000) 5.456 9.264 ( 7.450 -3.471 0.000) 8.219 9.264 ( 7.450 3.471 0.000) 8.219 9.418 ( -8.524 -3.513 0.000) 9.219 9.418 ( -8.524 3.513 0.000) 9.219 10.028 ( -1.378 -2.402 0.000) 2.770 10.028 ( -1.378 2.402 0.000) 2.770 10.607 ( -4.074 -1.222 0.000) 4.254 10.607 ( -4.074 1.222 0.000) 4.254 11.189 ( -1.565 -1.811 0.000) 2.394 11.189 ( -1.565 1.811 0.000) 2.394 11.323 ( 3.364 -0.018 0.000) 3.364 11.323 ( 3.364 0.018 0.000) 3.364 11.703 ( -6.169 -1.483 0.000) 6.345 11.703 ( -6.169 1.483 0.000) 6.345 12.586 ( -1.486 -0.606 0.000) 1.605 12.586 ( -1.486 0.606 0.000) 1.605 12.957 ( -3.226 -1.566 0.000) 3.586 12.957 ( -3.226 1.566 0.000) 3.586 13.492 ( -0.796 -3.389 0.000) 3.482 13.492 ( -0.796 3.389 0.000) 3.482 13.628 ( 1.501 -2.055 0.000) 2.545 13.628 ( 1.501 2.055 0.000) 2.545 14.450 ( 2.599 -4.769 0.000) 5.431 14.450 ( 2.599 4.769 0.000) 5.431 14.586 ( 2.433 -2.490 0.000) 3.481 14.586 ( 2.433 2.490 0.000) 3.481 15.181 ( 2.609 -3.546 0.000) 4.402 15.181 ( 2.609 3.546 0.000) 4.402 15.585 ( 3.195 -0.002 0.000) 3.195 15.585 ( 3.195 0.002 0.000) 3.195 15.875 ( -0.090 -7.970 0.000) 7.970 15.875 ( -0.090 7.970 0.000) 7.970 16.162 ( 3.321 -0.452 0.000) 3.351 16.162 ( 3.321 0.452 0.000) 3.351 16.767 ( 0.602 -0.001 0.000) 0.602 16.767 ( 0.602 0.001 0.000) 0.602 17.205 ( -5.479 -4.906 0.000) 7.354 17.205 ( -5.479 4.906 0.000) 7.354 17.413 ( 0.394 -1.274 0.000) 1.334 17.413 ( 0.394 1.274 0.000) 1.334 18.264 ( -0.803 -0.882 0.000) 1.193 18.264 ( -0.803 0.882 0.000) 1.193 19.252 ( 14.304 -6.635 0.000) 15.767 19.252 ( 14.304 6.635 0.000) 15.767 19.653 ( -21.572 -10.845 0.000) 24.144 19.653 ( -21.572 10.845 0.000) 24.144 24.329 ( 1.806 -6.374 0.000) 6.625 24.329 ( 1.806 6.374 0.000) 6.625 24.676 ( -5.074 -5.520 0.000) 7.498 24.676 ( -5.074 5.520 0.000) 7.498 25.768 ( 2.450 -0.260 0.000) 2.464 25.768 ( 2.450 0.260 0.000) 2.464======================= Grid point 55 (19/108) =======================q-point: ( 0.00 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.856 ( 0.000 0.000 39.814) 39.814 1.090 ( 0.000 0.000 49.915) 49.915 1.535 ( 0.000 0.000 69.864) 69.864 2.726 ( 0.000 0.000 6.381) 6.381 3.609 ( 0.000 0.000 11.037) 11.037 3.671 ( 0.000 0.000 -2.354) 2.354 3.710 ( 0.000 0.000 -16.352) 16.352 4.559 ( 0.000 0.000 3.599) 3.599 4.932 ( 0.000 0.000 14.948) 14.948 5.075 ( 0.000 0.000 -0.926) 0.926 5.174 ( 0.000 0.000 -5.780) 5.780 5.745 ( 0.000 0.000 18.426) 18.426 5.810 ( 0.000 0.000 11.294) 11.294 6.373 ( 0.000 0.000 4.871) 4.871 7.293 ( 0.000 0.000 -11.114) 11.114 7.424 ( 0.000 0.000 -4.514) 4.514 8.014 ( 0.000 0.000 -6.335) 6.335 8.366 ( 0.000 0.000 -2.670) 2.670 8.497 ( 0.000 0.000 3.723) 3.723 8.535 ( 0.000 0.000 23.269) 23.269 8.552 ( 0.000 0.000 -8.749) 8.749 9.895 ( 0.000 0.000 14.317) 14.317 9.897 ( 0.000 0.000 -1.300) 1.300 10.069 ( 0.000 0.000 -12.657) 12.657 10.131 ( 0.000 0.000 1.612) 1.612 10.517 ( 0.000 0.000 11.553) 11.553 10.585 ( 0.000 0.000 5.428) 5.428 10.870 ( 0.000 0.000 0.482) 0.482 11.114 ( 0.000 0.000 3.754) 3.754 11.499 ( 0.000 0.000 -10.631) 10.631 12.102 ( 0.000 0.000 2.803) 2.803 12.336 ( 0.000 0.000 10.383) 10.383 12.362 ( 0.000 0.000 6.954) 6.954 12.418 ( 0.000 0.000 -5.013) 5.013 12.424 ( 0.000 0.000 -8.069) 8.069 12.895 ( 0.000 0.000 3.351) 3.351 12.944 ( 0.000 0.000 -3.400) 3.400 13.038 ( 0.000 0.000 -4.180) 4.180 13.057 ( 0.000 0.000 -6.491) 6.491 13.078 ( 0.000 0.000 -11.714) 11.714 13.426 ( 0.000 0.000 5.578) 5.578 13.566 ( 0.000 0.000 -5.126) 5.126 13.604 ( 0.000 0.000 10.560) 10.560 14.119 ( 0.000 0.000 -7.250) 7.250 14.206 ( 0.000 0.000 5.208) 5.208 14.410 ( 0.000 0.000 2.619) 2.619 14.740 ( 0.000 0.000 -1.765) 1.765 14.965 ( 0.000 0.000 -0.169) 0.169 15.179 ( 0.000 0.000 -11.714) 11.714 15.660 ( 0.000 0.000 -6.434) 6.434 15.730 ( 0.000 0.000 -16.894) 16.894 15.865 ( 0.000 0.000 -4.935) 4.935 15.897 ( 0.000 0.000 -7.973) 7.973 16.095 ( 0.000 0.000 2.847) 2.847 16.147 ( 0.000 0.000 19.421) 19.421 16.329 ( 0.000 0.000 6.086) 6.086 17.535 ( 0.000 0.000 2.876) 2.876 17.656 ( 0.000 0.000 -0.063) 0.063 17.707 ( 0.000 0.000 -1.347) 1.347 17.735 ( 0.000 0.000 -5.035) 5.035 18.583 ( 0.000 0.000 -0.057) 0.057 18.673 ( 0.000 0.000 -6.046) 6.046 18.752 ( 0.000 0.000 -10.270) 10.270 18.837 ( 0.000 0.000 7.024) 7.024 22.121 ( 0.000 0.000 7.097) 7.097 22.133 ( 0.000 0.000 3.386) 3.386 23.433 ( 0.000 0.000 10.562) 10.562 24.462 ( 0.000 0.000 -0.779) 0.779 24.808 ( 0.000 0.000 -3.812) 3.812 24.948 ( 0.000 0.000 0.882) 0.882 25.058 ( 0.000 0.000 -8.122) 8.122 25.607 ( 0.000 0.000 -2.933) 2.933======================= Grid point 56 (20/108) =======================q-point: ( 0.09 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.187 ( 27.335 0.000 28.568) 39.539 1.202 ( 24.620 0.000 26.338) 36.054 2.230 ( 48.211 0.000 50.219) 69.615 2.837 ( 10.795 0.000 2.645) 11.115 3.235 ( -15.505 0.000 0.334) 15.508 3.595 ( -1.713 0.000 10.092) 10.237 3.800 ( 3.663 0.000 -3.590) 5.129 4.476 ( -5.841 0.000 1.339) 5.992 4.968 ( -6.866 0.000 -4.810) 8.384 5.282 ( 3.998 0.000 26.807) 27.104 5.303 ( 7.672 0.000 -5.015) 9.166 5.741 ( -5.550 0.000 7.471) 9.307 6.102 ( 26.499 0.000 0.076) 26.499 6.622 ( 21.584 0.000 4.621) 22.073 7.266 ( -6.551 0.000 -15.391) 16.727 7.361 ( 6.399 0.000 -12.114) 13.700 8.021 ( 2.949 0.000 -2.404) 3.804 8.314 ( -10.652 0.000 -0.492) 10.663 8.419 ( -4.384 0.000 6.107) 7.518 8.671 ( 12.768 0.000 -11.616) 17.261 8.674 ( 5.320 0.000 10.830) 12.066 9.860 ( -2.927 0.000 0.303) 2.943 9.963 ( 4.004 0.000 10.262) 11.016 10.155 ( 1.334 0.000 1.310) 1.870 10.195 ( -16.588 0.000 7.431) 18.176 10.282 ( 8.627 0.000 -14.961) 17.270 10.389 ( -10.286 0.000 11.899) 15.728 11.024 ( 5.786 0.000 5.587) 8.043 11.190 ( 6.798 0.000 5.567) 8.786 11.403 ( -8.389 0.000 -7.447) 11.217 11.921 ( -10.144 0.000 -11.178) 15.094 12.099 ( -13.205 0.000 1.200) 13.259 12.403 ( -2.304 0.000 -10.830) 11.072 12.476 ( 3.298 0.000 -3.220) 4.610 12.646 ( 2.357 0.000 9.846) 10.124 12.797 ( -4.019 0.000 -4.193) 5.808 12.878 ( -4.917 0.000 -3.539) 6.058 13.069 ( 1.543 0.000 -11.563) 11.666 13.299 ( 15.253 0.000 -8.430) 17.427 13.316 ( 14.285 0.000 -2.597) 14.519 13.475 ( 2.364 0.000 7.032) 7.419 13.546 ( 7.476 0.000 -5.315) 9.173 13.625 ( 2.926 0.000 9.230) 9.683 14.023 ( -7.728 0.000 0.075) 7.729 14.188 ( -14.674 0.000 8.257) 16.838 14.245 ( 3.414 0.000 3.047) 4.576 14.767 ( 2.809 0.000 -4.956) 5.696 14.866 ( -5.514 0.000 15.088) 16.064 15.188 ( 0.527 0.000 -10.916) 10.929 15.532 ( -8.098 0.000 -5.393) 9.730 15.858 ( -0.242 0.000 -6.132) 6.137 15.874 ( 7.088 0.000 -16.769) 18.205 15.931 ( 2.597 0.000 -5.716) 6.278 16.174 ( 2.908 0.000 19.462) 19.678 16.195 ( 8.748 0.000 -7.523) 11.538 16.325 ( -0.592 0.000 7.110) 7.134 16.999 ( -14.542 0.000 -4.227) 15.144 17.459 ( -6.477 0.000 -1.544) 6.659 17.683 ( 1.354 0.000 -1.649) 2.134 18.430 ( 5.715 0.000 -0.265) 5.721 18.565 ( -13.229 0.000 21.774) 25.477 18.581 ( -5.524 0.000 -8.367) 10.026 18.705 ( 7.914 0.000 -5.174) 9.455 18.837 ( 5.290 0.000 -4.597) 7.008 21.824 ( -23.879 0.000 4.735) 24.344 22.097 ( -8.267 0.000 8.557) 11.898 23.296 ( 3.062 0.000 -5.931) 6.675 24.780 ( -0.628 0.000 -4.820) 4.860 24.900 ( -1.379 0.000 -5.495) 5.665 25.003 ( 20.517 0.000 -8.905) 22.366 25.148 ( 5.938 0.000 -1.447) 6.112 25.586 ( -2.060 0.000 -2.154) 2.980======================= Grid point 57 (21/108) =======================q-point: ( 0.18 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.801 ( 30.923 0.000 16.784) 35.184 1.900 ( 38.148 0.000 -3.013) 38.267 2.994 ( 3.570 0.000 2.209) 4.198 3.135 ( 16.821 0.000 -4.716) 17.470 3.303 ( 40.859 0.000 28.380) 49.748 3.550 ( -1.223 0.000 9.089) 9.171 3.837 ( -0.227 0.000 6.031) 6.035 4.386 ( -1.249 0.000 -3.909) 4.103 4.800 ( -10.012 0.000 -7.473) 12.493 5.285 ( 0.564 0.000 31.162) 31.167 5.412 ( 1.361 0.000 -3.645) 3.891 5.613 ( -6.258 0.000 3.205) 7.031 6.457 ( 7.618 0.000 -0.348) 7.626 7.108 ( 23.124 0.000 -2.354) 23.243 7.260 ( 5.169 0.000 -14.847) 15.721 7.539 ( 10.748 0.000 -12.972) 16.846 8.062 ( -11.645 0.000 1.780) 11.781 8.131 ( 6.624 0.000 -1.953) 6.905 8.390 ( 1.947 0.000 4.885) 5.259 8.760 ( 3.476 0.000 16.176) 16.545 8.872 ( 7.726 0.000 -14.750) 16.651 9.748 ( -8.775 0.000 -1.775) 8.953 9.803 ( -18.259 0.000 8.355) 20.080 9.949 ( -7.823 0.000 8.334) 11.430 10.091 ( -5.099 0.000 7.223) 8.842 10.300 ( 2.052 0.000 7.998) 8.257 10.517 ( 10.137 0.000 -14.640) 17.808 11.112 ( 3.463 0.000 7.744) 8.483 11.161 ( -11.286 0.000 -3.888) 11.937 11.390 ( 7.730 0.000 7.926) 11.071 11.697 ( -11.863 0.000 -12.861) 17.497 11.831 ( -11.865 0.000 1.566) 11.968 12.336 ( -3.247 0.000 -15.582) 15.917 12.455 ( -6.376 0.000 -3.691) 7.367 12.572 ( -8.047 0.000 15.572) 17.528 12.766 ( -4.402 0.000 -6.110) 7.530 12.804 ( 2.153 0.000 -2.126) 3.026 13.151 ( 8.072 0.000 -12.815) 15.146 13.195 ( -12.197 0.000 -8.961) 15.135 13.572 ( 12.234 0.000 1.450) 12.319 13.618 ( 6.329 0.000 1.063) 6.418 13.756 ( 9.517 0.000 2.399) 9.815 13.785 ( -4.490 0.000 16.584) 17.181 13.969 ( 5.133 0.000 -2.749) 5.823 14.069 ( 12.212 0.000 -3.079) 12.595 14.322 ( 3.669 0.000 -0.525) 3.706 14.716 ( -9.244 0.000 13.758) 16.575 14.860 ( 6.200 0.000 -12.348) 13.817 15.191 ( -0.104 0.000 -9.197) 9.197 15.331 ( -10.059 0.000 3.935) 10.801 15.843 ( -2.263 0.000 -3.700) 4.337 15.986 ( 2.563 0.000 -4.589) 5.256 16.074 ( 12.659 0.000 -20.061) 23.721 16.262 ( 4.359 0.000 17.660) 18.190 16.307 ( 0.316 0.000 8.999) 9.004 16.391 ( 9.713 0.000 -12.339) 15.703 16.906 ( 1.287 0.000 -8.104) 8.206 17.286 ( -10.519 0.000 -11.113) 15.302 17.677 ( -2.303 0.000 -9.228) 9.511 18.218 ( -12.812 0.000 27.370) 30.220 18.412 ( -6.819 0.000 -8.059) 10.557 18.493 ( -2.798 0.000 -2.966) 4.077 18.821 ( -0.084 0.000 1.792) 1.794 18.959 ( 7.242 0.000 0.776) 7.284 21.189 ( -36.804 0.000 10.423) 38.251 21.820 ( -18.439 0.000 9.098) 20.561 23.468 ( 9.740 0.000 -18.363) 20.786 24.721 ( -5.210 0.000 -5.196) 7.358 24.938 ( 5.094 0.000 -6.951) 8.618 25.215 ( 3.551 0.000 -0.058) 3.551 25.268 ( 5.789 0.000 1.144) 5.901 25.530 ( -3.281 0.000 -0.420) 3.308======================= Grid point 58 (22/108) =======================q-point: ( 0.27 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.393 ( 26.622 0.000 7.637) 27.696 2.639 ( 33.753 0.000 -10.889) 35.466 3.034 ( 3.731 0.000 1.751) 4.122 3.368 ( 4.210 0.000 -0.259) 4.218 3.657 ( -6.433 0.000 10.025) 11.912 3.697 ( 17.358 0.000 -1.446) 17.418 4.263 ( 35.707 0.000 12.681) 37.892 4.436 ( 6.841 0.000 -4.753) 8.330 4.571 ( -11.651 0.000 -6.935) 13.558 5.280 ( -13.386 0.000 3.288) 13.784 5.370 ( 8.017 0.000 25.049) 26.301 5.530 ( -3.575 0.000 -3.380) 4.920 6.488 ( -1.584 0.000 -12.546) 12.645 7.385 ( 4.547 0.000 9.440) 10.478 7.491 ( 14.521 0.000 -9.569) 17.391 7.769 ( 10.615 0.000 -11.157) 15.400 7.856 ( -6.955 0.000 -0.692) 6.989 8.305 ( 9.151 0.000 -2.168) 9.404 8.503 ( 8.910 0.000 4.087) 9.803 8.830 ( 3.755 0.000 18.522) 18.899 9.002 ( 4.820 0.000 -14.435) 15.219 9.469 ( -13.735 0.000 5.380) 14.751 9.542 ( -8.855 0.000 -1.646) 9.007 9.742 ( -11.065 0.000 7.977) 13.640 9.996 ( -5.098 0.000 7.968) 9.459 10.331 ( -1.029 0.000 5.652) 5.745 10.681 ( 5.901 0.000 -11.424) 12.858 10.940 ( -8.832 0.000 1.203) 8.914 11.152 ( -0.753 0.000 0.470) 0.888 11.459 ( -2.016 0.000 5.054) 5.442 11.484 ( -7.161 0.000 -3.463) 7.954 11.646 ( -6.023 0.000 5.794) 8.358 12.230 ( -13.301 0.000 6.689) 14.888 12.313 ( 1.311 0.000 -13.705) 13.768 12.398 ( -9.760 0.000 10.073) 14.025 12.651 ( -7.150 0.000 -9.441) 11.843 12.799 ( -2.781 0.000 -0.500) 2.826 12.941 ( -12.649 0.000 -8.622) 15.308 13.415 ( 16.885 0.000 -15.178) 22.704 13.633 ( -2.843 0.000 10.112) 10.504 13.705 ( -2.548 0.000 15.015) 15.230 13.856 ( 13.760 0.000 -3.680) 14.244 13.995 ( 15.487 0.000 0.806) 15.508 14.051 ( 6.011 0.000 -10.196) 11.836 14.381 ( 2.122 0.000 -2.866) 3.567 14.450 ( 16.873 0.000 -6.763) 18.178 14.529 ( -7.486 0.000 10.713) 13.069 14.992 ( 5.280 0.000 -20.588) 21.254 15.200 ( -1.653 0.000 4.649) 4.934 15.202 ( 2.195 0.000 -6.042) 6.428 15.719 ( -10.560 0.000 -0.401) 10.568 16.016 ( -0.422 0.000 -6.349) 6.363 16.287 ( 1.485 0.000 6.542) 6.708 16.343 ( 12.697 0.000 -15.355) 19.925 16.414 ( 6.700 0.000 18.921) 20.073 16.568 ( 7.262 0.000 -12.663) 14.598 16.981 ( 5.561 0.000 -8.513) 10.168 17.050 ( -11.556 0.000 -22.130) 24.966 17.591 ( -5.866 0.000 -15.313) 16.398 18.048 ( -3.956 0.000 17.818) 18.252 18.215 ( -12.411 0.000 -12.094) 17.329 18.468 ( 0.470 0.000 3.803) 3.831 18.740 ( -6.897 0.000 4.961) 8.496 19.150 ( 11.731 0.000 4.803) 12.676 20.413 ( -37.632 0.000 17.107) 41.338 21.374 ( -24.722 0.000 9.488) 26.480 23.617 ( 4.736 0.000 -17.327) 17.963 24.556 ( -11.147 0.000 -6.325) 12.817 25.087 ( 8.832 0.000 -5.365) 10.334 25.237 ( -0.127 0.000 1.873) 1.878 25.382 ( 5.317 0.000 0.415) 5.333 25.457 ( -3.741 0.000 0.894) 3.847======================= Grid point 59 (23/108) =======================q-point: ( 0.36 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.864 ( 19.712 0.000 -0.616) 19.721 3.108 ( 5.930 0.000 5.971) 8.416 3.294 ( 28.216 0.000 -12.738) 30.958 3.443 ( 3.874 0.000 4.216) 5.726 3.498 ( -7.954 0.000 11.488) 13.973 4.042 ( 10.473 0.000 -12.986) 16.683 4.428 ( -2.653 0.000 -6.643) 7.153 4.428 ( 2.883 0.000 0.856) 3.007 4.935 ( -19.450 0.000 5.734) 20.278 4.962 ( 25.794 0.000 -2.069) 25.876 5.396 ( -10.174 0.000 -4.389) 11.080 5.550 ( 6.433 0.000 5.684) 8.584 6.523 ( 8.039 0.000 -1.711) 8.219 7.371 ( -6.243 0.000 23.981) 24.780 7.728 ( 9.428 0.000 -10.732) 14.285 7.830 ( 4.496 0.000 -3.511) 5.704 7.921 ( 4.010 0.000 -9.714) 10.509 8.423 ( -0.366 0.000 -0.151) 0.396 8.719 ( 10.946 0.000 4.241) 11.739 8.929 ( 6.181 0.000 14.949) 16.176 9.053 ( 1.726 0.000 -7.981) 8.165 9.309 ( -1.787 0.000 -5.667) 5.942 9.445 ( -1.815 0.000 1.469) 2.335 9.532 ( -7.192 0.000 5.501) 9.054 9.874 ( -7.052 0.000 5.720) 9.080 10.197 ( -12.123 0.000 3.217) 12.542 10.761 ( 2.305 0.000 -9.630) 9.902 10.863 ( 1.595 0.000 6.685) 6.873 11.045 ( -8.428 0.000 -9.772) 12.904 11.337 ( -8.681 0.000 3.770) 9.464 11.461 ( 3.979 0.000 12.660) 13.270 11.595 ( 0.937 0.000 7.349) 7.408 11.976 ( -11.197 0.000 13.826) 17.791 12.156 ( -13.698 0.000 6.955) 15.362 12.374 ( 4.124 0.000 -8.280) 9.251 12.511 ( -5.796 0.000 -10.742) 12.206 12.689 ( -11.494 0.000 -9.631) 14.996 12.710 ( -5.566 0.000 -0.910) 5.640 13.594 ( -1.022 0.000 14.125) 14.161 13.646 ( -2.837 0.000 8.550) 9.008 13.818 ( 22.697 0.000 -18.842) 29.499 14.077 ( 9.097 0.000 -5.535) 10.649 14.146 ( 2.991 0.000 -2.841) 4.126 14.332 ( 8.983 0.000 -2.599) 9.352 14.380 ( -5.864 0.000 7.583) 9.586 14.451 ( 10.434 0.000 -4.458) 11.346 14.786 ( 15.484 0.000 -14.259) 21.049 15.016 ( -2.794 0.000 -18.711) 18.918 15.242 ( 3.518 0.000 3.471) 4.942 15.308 ( 6.135 0.000 -9.681) 11.461 15.422 ( -16.846 0.000 -5.358) 17.677 15.934 ( -8.040 0.000 -12.598) 14.945 16.342 ( 3.643 0.000 9.318) 10.005 16.520 ( 2.471 0.000 19.029) 19.188 16.562 ( 8.480 0.000 -10.015) 13.123 16.677 ( 3.476 0.000 -10.728) 11.277 16.893 ( -1.777 0.000 -24.076) 24.142 17.123 ( 8.402 0.000 -12.276) 14.876 17.440 ( -9.223 0.000 -15.939) 18.415 17.919 ( -15.465 0.000 -19.643) 25.000 18.054 ( 3.530 0.000 12.832) 13.309 18.533 ( 6.680 0.000 6.617) 9.402 18.570 ( -9.323 0.000 6.340) 11.275 19.411 ( 10.424 0.000 -0.984) 10.471 19.738 ( -24.683 0.000 27.666) 37.076 20.845 ( -26.659 0.000 10.999) 28.839 23.686 ( 3.103 0.000 -12.049) 12.442 24.284 ( -14.799 0.000 -6.375) 16.114 25.240 ( 0.743 0.000 0.331) 0.813 25.270 ( 8.706 0.000 -3.815) 9.505 25.382 ( -3.540 0.000 0.775) 3.624 25.471 ( 3.073 0.000 -1.333) 3.349======================= Grid point 60 (24/108) =======================q-point: ( 0.45 0.00 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.208 ( 14.474 0.000 -5.538) 15.497 3.219 ( 5.664 0.000 8.178) 9.948 3.346 ( -6.843 0.000 10.192) 12.276 3.437 ( -6.584 0.000 -2.902) 7.196 3.838 ( 24.109 0.000 -10.263) 26.202 4.179 ( 10.626 0.000 -0.938) 10.668 4.244 ( -15.088 0.000 -7.461) 16.832 4.502 ( -18.081 0.000 7.503) 19.576 4.747 ( 17.750 0.000 -2.176) 17.883 5.119 ( -16.711 0.000 -3.723) 17.121 5.360 ( 14.095 0.000 -12.705) 18.976 5.556 ( -5.294 0.000 -13.480) 14.482 6.818 ( 18.172 0.000 16.985) 24.874 7.159 ( -14.130 0.000 22.988) 26.983 7.880 ( 5.424 0.000 -9.589) 11.016 7.946 ( -1.127 0.000 -8.969) 9.039 8.003 ( 11.637 0.000 0.647) 11.655 8.265 ( -12.738 0.000 2.729) 13.028 8.906 ( 7.549 0.000 6.445) 9.926 9.014 ( -1.141 0.000 7.446) 7.533 9.160 ( 7.712 0.000 -9.026) 11.872 9.283 ( -3.202 0.000 -9.622) 10.141 9.427 ( 4.932 0.000 6.900) 8.481 9.538 ( 0.981 0.000 6.808) 6.879 9.738 ( -2.504 0.000 -1.018) 2.704 9.906 ( -14.410 0.000 2.116) 14.564 10.799 ( 2.273 0.000 -9.042) 9.323 10.883 ( -6.375 0.000 -9.478) 11.422 10.967 ( 7.594 0.000 8.067) 11.079 11.146 ( -9.553 0.000 6.130) 11.351 11.595 ( 8.460 0.000 23.398) 24.880 11.670 ( 5.945 0.000 4.616) 7.527 11.779 ( -8.188 0.000 19.580) 21.223 11.875 ( -12.791 0.000 1.169) 12.844 12.442 ( -0.504 0.000 -11.176) 11.187 12.471 ( 5.325 0.000 -4.589) 7.029 12.502 ( -6.401 0.000 -10.828) 12.578 12.588 ( -6.104 0.000 -2.334) 6.535 13.585 ( 0.141 0.000 11.866) 11.867 13.601 ( -1.465 0.000 8.280) 8.409 14.200 ( 2.943 0.000 1.638) 3.368 14.225 ( 8.017 0.000 -11.804) 14.269 14.275 ( -4.480 0.000 4.177) 6.125 14.307 ( 8.974 0.000 -9.191) 12.846 14.375 ( 13.213 0.000 -10.062) 16.609 14.751 ( 12.679 0.000 -5.672) 13.890 14.848 ( -16.740 0.000 -18.176) 24.710 15.017 ( -15.237 0.000 -8.394) 17.396 15.078 ( 12.436 0.000 -11.161) 16.710 15.251 ( -3.874 0.000 -2.708) 4.727 15.505 ( 9.869 0.000 -15.963) 18.767 15.723 ( -11.360 0.000 -16.714) 20.209 16.425 ( 4.267 0.000 12.568) 13.272 16.503 ( -3.085 0.000 14.923) 15.239 16.683 ( 3.516 0.000 -7.166) 7.982 16.714 ( 0.229 0.000 -8.027) 8.030 16.989 ( 9.576 0.000 -16.441) 19.026 17.220 ( -11.952 0.000 -14.745) 18.981 17.326 ( 11.761 0.000 -17.442) 21.037 17.601 ( -15.065 0.000 -19.942) 24.992 18.183 ( 8.448 0.000 7.392) 11.225 18.373 ( -9.840 0.000 6.502) 11.794 18.754 ( 14.955 0.000 7.986) 16.953 19.131 ( -21.765 0.000 7.974) 23.180 19.857 ( 20.037 0.000 17.260) 26.446 20.317 ( -24.727 0.000 13.222) 28.040 23.784 ( 7.290 0.000 -7.704) 10.606 23.993 ( -12.966 0.000 -6.151) 14.352 25.268 ( 1.948 0.000 -0.705) 2.071 25.317 ( -2.827 0.000 -0.233) 2.836 25.421 ( 5.741 0.000 -3.108) 6.528 25.493 ( -1.184 0.000 -2.541) 2.803======================= Grid point 66 (25/108) =======================q-point: ( 0.00 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.251 ( 0.000 24.578 26.747) 36.325 1.360 ( 0.000 20.425 34.981) 40.508 2.169 ( 0.000 48.059 41.905) 63.763 2.529 ( 0.000 -14.933 8.338) 17.103 2.907 ( 0.000 -30.646 15.773) 34.467 3.815 ( 0.000 4.615 -12.602) 13.421 4.169 ( 0.000 18.667 4.768) 19.266 4.582 ( 0.000 -26.385 22.628) 34.759 4.655 ( 0.000 1.789 3.109) 3.587 4.976 ( 0.000 -3.299 5.782) 6.657 4.985 ( 0.000 -14.854 -6.293) 16.132 5.560 ( 0.000 -12.533 16.617) 20.814 5.958 ( 0.000 7.801 8.030) 11.196 6.283 ( 0.000 -6.467 3.348) 7.282 6.985 ( 0.000 -3.092 30.826) 30.981 7.392 ( 0.000 6.995 -8.286) 10.843 7.943 ( 0.000 -2.100 -7.214) 7.513 8.067 ( 0.000 -21.229 -1.091) 21.257 8.427 ( 0.000 -0.074 -1.934) 1.936 8.573 ( 0.000 0.070 18.677) 18.677 9.099 ( 0.000 20.536 -19.837) 28.553 9.788 ( 0.000 -9.628 -4.221) 10.513 10.007 ( 0.000 -1.304 -1.902) 2.306 10.044 ( 0.000 7.557 9.452) 12.101 10.156 ( 0.000 1.561 0.927) 1.815 10.523 ( 0.000 -19.895 17.554) 26.532 10.686 ( 0.000 14.138 2.628) 14.380 10.777 ( 0.000 12.874 8.558) 15.458 11.158 ( 0.000 -0.745 4.504) 4.565 11.379 ( 0.000 -10.694 -14.235) 17.804 12.138 ( 0.000 2.540 2.629) 3.656 12.244 ( 0.000 -5.846 0.363) 5.857 12.338 ( 0.000 -0.119 -5.257) 5.258 12.351 ( 0.000 1.310 8.216) 8.320 12.620 ( 0.000 1.999 -4.474) 4.900 12.758 ( 0.000 -11.354 -13.168) 17.387 12.802 ( 0.000 5.942 -2.736) 6.542 13.057 ( 0.000 -1.372 -5.791) 5.951 13.241 ( 0.000 12.904 -1.635) 13.007 13.337 ( 0.000 10.466 -8.865) 13.716 13.489 ( 0.000 4.633 9.236) 10.332 13.600 ( 0.000 1.485 -4.214) 4.468 13.672 ( 0.000 5.895 13.510) 14.740 14.075 ( 0.000 -10.900 6.616) 12.751 14.079 ( 0.000 -2.568 -7.183) 7.628 14.291 ( 0.000 -9.530 11.246) 14.741 14.577 ( 0.000 -3.974 0.857) 4.065 14.763 ( 0.000 -10.601 -2.313) 10.851 15.390 ( 0.000 11.434 -10.524) 15.540 15.633 ( 0.000 -2.076 -8.296) 8.551 15.695 ( 0.000 -1.906 -12.266) 12.413 15.817 ( 0.000 -5.271 -7.515) 9.180 15.946 ( 0.000 6.059 -6.937) 9.211 16.138 ( 0.000 0.703 -1.022) 1.241 16.153 ( 0.000 0.737 17.001) 17.017 16.282 ( 0.000 -3.879 5.873) 7.038 17.435 ( 0.000 -6.653 15.164) 16.559 17.477 ( 0.000 -4.095 4.453) 6.049 17.739 ( 0.000 -0.130 -13.038) 13.038 17.747 ( 0.000 0.420 -7.490) 7.502 18.437 ( 0.000 3.069 -9.112) 9.615 18.696 ( 0.000 -4.478 -9.410) 10.421 18.882 ( 0.000 3.313 8.100) 8.751 18.961 ( 0.000 4.689 6.350) 7.893 22.120 ( 0.000 0.173 6.450) 6.453 22.132 ( 0.000 -0.128 3.911) 3.913 23.493 ( 0.000 5.362 10.703) 11.971 23.971 ( 0.000 -18.767 16.326) 24.875 24.856 ( 0.000 4.476 -5.101) 6.786 25.034 ( 0.000 -2.192 -7.758) 8.061 25.338 ( 0.000 11.812 -12.457) 17.167 25.578 ( 0.000 -2.543 -3.764) 4.542======================= Grid point 67 (26/108) =======================q-point: ( 0.09 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.406 ( 12.056 18.934 25.611) 34.055 1.530 ( 23.638 20.543 18.401) 36.323 2.437 ( 18.478 3.733 21.196) 28.366 2.730 ( 0.305 -18.406 9.351) 20.648 2.924 ( 25.349 9.557 22.233) 35.046 3.860 ( 0.707 9.788 -7.685) 12.465 4.023 ( -3.337 17.280 3.000) 17.854 4.555 ( -3.913 0.818 4.212) 5.807 4.781 ( -8.810 -16.645 9.724) 21.195 4.901 ( 10.005 -16.630 12.632) 23.157 5.221 ( 11.036 -12.602 -3.506) 17.114 5.621 ( -0.061 -8.483 8.932) 12.319 6.349 ( 26.828 12.750 -1.780) 29.757 6.489 ( 18.292 -12.504 0.327) 22.160 6.866 ( -2.036 -4.979 10.008) 11.362 7.556 ( 8.889 10.086 -11.817) 17.899 7.965 ( 1.348 -4.904 -7.144) 8.769 8.145 ( 3.752 -17.505 0.683) 17.915 8.350 ( 0.296 -4.593 1.542) 4.854 8.570 ( -1.820 3.274 18.229) 18.610 9.109 ( -0.432 18.881 -12.145) 22.454 9.727 ( -6.204 -9.747 -2.940) 11.922 9.908 ( 0.431 -3.601 6.160) 7.148 10.122 ( -4.510 0.013 0.899) 4.599 10.192 ( 4.016 0.958 -1.870) 4.532 10.384 ( -9.448 3.964 10.207) 14.462 10.659 ( -3.027 16.391 3.050) 16.945 10.902 ( 9.069 -3.875 8.246) 12.855 11.215 ( 3.775 -1.013 3.854) 5.488 11.327 ( -3.947 -7.341 -8.937) 12.220 12.001 ( -11.559 6.288 -4.625) 13.948 12.137 ( -10.054 2.627 2.489) 10.685 12.372 ( 2.642 -0.987 0.418) 2.851 12.472 ( 1.881 -2.995 -5.334) 6.400 12.589 ( -11.528 -7.365 -4.282) 14.334 12.762 ( 12.139 0.735 -1.796) 12.293 12.807 ( 1.394 -3.445 -14.066) 14.549 13.007 ( 6.556 -2.579 0.178) 7.047 13.259 ( -0.440 8.472 -8.367) 11.916 13.486 ( -5.666 -1.042 0.985) 5.844 13.517 ( 2.327 4.901 0.650) 5.464 13.608 ( 11.277 1.534 0.886) 11.416 13.742 ( 7.993 11.727 10.295) 17.533 13.999 ( -4.822 -1.776 0.188) 5.142 14.099 ( -2.275 -7.371 5.121) 9.259 14.173 ( -4.800 -4.625 9.190) 11.353 14.597 ( 2.627 -8.269 -1.791) 8.860 14.761 ( -0.884 -7.298 2.190) 7.670 15.369 ( -2.628 10.991 -6.802) 13.190 15.565 ( -2.977 2.239 -8.305) 9.103 15.801 ( 3.987 -3.665 -9.478) 10.917 15.844 ( 2.236 -5.817 -6.892) 9.292 15.954 ( 1.749 0.666 -6.189) 6.466 16.065 ( -0.723 0.880 3.140) 3.340 16.279 ( 0.821 -2.926 5.788) 6.537 16.319 ( 8.482 2.602 5.637) 10.511 17.040 ( -15.125 2.668 -6.130) 16.537 17.412 ( -6.338 -3.505 -2.424) 7.637 17.596 ( 3.869 -5.594 5.589) 8.804 18.196 ( -0.816 -8.898 -1.738) 9.102 18.501 ( 3.444 5.560 -1.255) 6.659 18.639 ( -9.053 -0.083 4.848) 10.270 18.787 ( 6.722 -3.573 -5.234) 9.238 18.995 ( -1.063 8.696 2.908) 9.230 21.846 ( -20.973 1.730 4.051) 21.430 22.080 ( -10.522 -1.254 9.860) 14.475 23.365 ( 1.733 4.856 -6.804) 8.536 24.377 ( 17.662 -18.598 9.801) 27.457 24.888 ( 4.138 0.884 -4.615) 6.261 25.072 ( 3.036 1.362 -5.940) 6.808 25.340 ( 0.536 7.303 -8.622) 11.312 25.566 ( -1.196 -1.468 -2.419) 3.072======================= Grid point 68 (27/108) =======================q-point: ( 0.18 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.855 ( 28.615 7.859 11.559) 31.847 2.086 ( 28.590 10.504 3.666) 30.678 2.735 ( 6.196 -15.786 8.026) 18.762 2.870 ( 23.472 -13.181 5.542) 27.484 3.551 ( 14.655 10.955 7.799) 19.890 3.830 ( 7.846 19.460 7.079) 22.144 4.068 ( 6.762 19.314 7.322) 21.734 4.409 ( -5.866 -2.389 1.904) 6.614 4.654 ( -4.264 -5.833 -1.745) 7.433 5.153 ( 13.157 -13.796 15.808) 24.766 5.330 ( 0.643 -10.551 -2.082) 10.774 5.573 ( -4.209 -0.887 3.860) 5.780 6.412 ( -5.975 -5.705 -0.765) 8.297 6.956 ( 16.134 -12.920 -0.437) 20.674 7.173 ( 24.195 8.717 -4.109) 26.043 7.683 ( 4.999 6.160 -13.670) 15.805 7.936 ( -3.385 -7.975 -5.875) 10.468 8.200 ( 5.262 5.196 -1.074) 7.472 8.486 ( 4.604 -3.146 4.727) 7.310 8.576 ( 7.295 -7.435 10.522) 14.806 9.069 ( -2.688 12.102 0.167) 12.398 9.544 ( -10.981 -9.012 -0.054) 14.206 9.886 ( -7.519 2.151 2.329) 8.160 10.022 ( -4.094 0.435 2.831) 4.996 10.130 ( -12.016 6.596 6.892) 15.342 10.267 ( 3.359 -3.992 -3.534) 6.302 10.656 ( 1.891 12.285 -1.780) 12.557 11.001 ( -0.552 -5.081 3.706) 6.314 11.194 ( -2.402 -0.985 -0.280) 2.611 11.343 ( 2.652 -4.713 6.447) 8.415 11.724 ( -13.778 1.783 -1.084) 13.935 11.897 ( -13.089 5.264 -1.067) 14.148 12.312 ( -12.196 -11.173 -0.754) 16.557 12.412 ( 1.343 3.054 -3.122) 4.569 12.516 ( 0.830 2.504 -7.764) 8.200 12.719 ( -6.184 0.822 -4.469) 7.673 13.014 ( 4.477 10.681 -1.541) 11.684 13.133 ( -1.298 -0.398 -10.785) 10.870 13.324 ( 2.277 6.109 -12.487) 14.087 13.427 ( 11.386 -10.208 -1.918) 15.412 13.623 ( 7.027 -0.805 0.738) 7.111 13.718 ( 1.544 -1.479 15.622) 15.768 13.887 ( 3.430 5.993 7.026) 9.851 13.953 ( 0.392 0.005 -1.733) 1.777 14.073 ( 5.237 -1.685 4.214) 6.930 14.228 ( 6.900 -4.681 2.711) 8.768 14.640 ( -0.435 -5.089 1.942) 5.464 14.755 ( 2.932 -6.721 -7.337) 10.374 15.294 ( -4.504 7.400 -6.595) 10.888 15.475 ( -4.512 10.165 0.589) 11.138 15.830 ( -0.907 -2.063 -4.901) 5.394 15.902 ( 3.280 -6.199 -8.491) 11.013 16.038 ( 6.188 -10.437 1.834) 12.272 16.119 ( 4.976 0.716 -4.033) 6.445 16.313 ( 3.463 1.495 4.333) 5.745 16.495 ( 7.987 2.400 -1.640) 8.499 16.924 ( 0.325 1.037 -9.224) 9.288 17.291 ( -6.179 0.960 -8.558) 10.599 17.637 ( -0.636 -3.564 -1.744) 4.019 18.046 ( -9.284 -12.289 2.949) 15.682 18.256 ( -12.765 0.063 7.265) 14.688 18.697 ( 1.607 6.020 -4.798) 7.864 18.881 ( -2.435 0.351 4.470) 5.102 18.971 ( 3.563 3.181 -0.450) 4.798 21.289 ( -32.750 8.127 9.809) 35.140 21.742 ( -21.538 -6.542 10.453) 24.818 23.518 ( 9.545 3.765 -19.916) 22.404 24.561 ( 3.424 -10.630 -0.642) 11.186 24.944 ( -0.247 0.169 0.097) 0.315 25.160 ( 5.130 -0.495 -2.832) 5.881 25.363 ( 1.487 2.548 -3.281) 4.413 25.539 ( -0.995 0.988 -0.010) 1.402======================= Grid point 69 (28/108) =======================q-point: ( 0.27 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( 25.475 3.679 5.626) 26.347 2.659 ( 28.587 -0.135 -7.066) 29.448 2.965 ( 14.779 -2.585 5.950) 16.141 3.358 ( 17.662 -6.418 -2.352) 18.939 3.517 ( 2.408 -4.054 3.014) 5.597 3.785 ( -11.755 8.540 11.501) 18.531 4.390 ( 1.150 -3.715 -3.941) 5.536 4.539 ( -6.359 -0.171 -6.439) 9.051 4.611 ( 32.460 22.146 8.045) 40.110 5.244 ( -8.897 -1.501 -0.415) 9.032 5.415 ( 8.284 -6.195 7.449) 12.747 5.483 ( -0.253 1.839 5.857) 6.145 6.314 ( -2.204 -12.351 -8.791) 15.319 7.208 ( 7.927 -10.310 17.921) 22.142 7.470 ( 6.043 -1.229 -10.657) 12.313 7.834 ( 9.187 4.443 -8.332) 13.174 7.911 ( 1.799 3.862 -6.815) 8.037 8.351 ( 8.321 4.463 -1.457) 9.554 8.568 ( 6.502 1.945 8.385) 10.788 8.774 ( 8.118 -5.687 -0.747) 9.940 9.032 ( -0.290 -1.202 2.547) 2.831 9.329 ( -8.631 -2.242 2.777) 9.339 9.673 ( -10.534 6.294 0.572) 12.284 9.831 ( -11.787 6.352 5.862) 14.616 9.988 ( -5.144 -0.861 3.319) 6.182 10.300 ( -1.820 -3.441 -1.221) 4.079 10.726 ( 4.625 5.269 -4.467) 8.313 10.908 ( -5.838 -1.836 -0.097) 6.121 11.197 ( 0.219 2.444 4.259) 4.915 11.335 ( -3.269 -5.992 6.109) 9.161 11.507 ( -5.974 -1.712 4.619) 7.743 11.636 ( -11.771 -0.201 0.986) 11.814 12.056 ( -12.720 -10.904 1.368) 16.810 12.366 ( -6.107 0.471 2.393) 6.576 12.526 ( -5.997 -4.051 -4.433) 8.487 12.598 ( 0.049 17.018 -9.984) 19.731 12.890 ( -10.315 -0.595 -7.672) 12.869 13.068 ( -4.960 13.732 -3.761) 15.077 13.521 ( 8.443 -1.442 -13.825) 16.263 13.554 ( 3.585 -2.039 -1.639) 4.438 13.663 ( -0.855 -0.017 19.196) 19.215 13.847 ( 9.034 -4.495 5.355) 11.423 14.045 ( 9.955 2.721 -5.059) 11.493 14.101 ( 11.248 2.224 -1.677) 11.588 14.139 ( 6.280 -7.703 -0.629) 9.958 14.393 ( 6.324 -4.286 -1.093) 7.717 14.610 ( 0.070 2.518 0.061) 2.519 14.889 ( 8.421 -8.208 -17.986) 21.489 15.217 ( -1.576 6.508 -4.142) 7.874 15.439 ( 0.807 12.714 -0.459) 12.748 15.750 ( -7.474 1.033 -0.569) 7.567 15.946 ( 0.468 -4.473 -8.915) 9.985 16.182 ( 6.817 -8.467 6.739) 12.790 16.219 ( 5.492 -8.082 6.576) 11.778 16.435 ( 7.798 4.235 -7.802) 11.816 16.629 ( 4.847 0.088 -5.940) 7.667 16.976 ( 3.700 0.132 -11.668) 12.241 17.148 ( -7.410 7.875 -14.877) 18.392 17.551 ( -7.327 -2.673 -11.023) 13.503 17.883 ( -7.576 -17.792 -0.180) 19.338 18.079 ( -4.047 1.199 4.215) 5.965 18.681 ( -1.626 9.085 -1.736) 9.391 18.744 ( -8.599 0.958 6.712) 10.951 19.129 ( 10.456 -1.771 4.126) 11.379 20.580 ( -35.331 13.596 16.002) 41.100 21.247 ( -26.244 -10.870 10.558) 30.305 23.676 ( 5.724 4.592 -20.011) 21.314 24.543 ( -5.712 -2.508 -5.930) 8.607 24.921 ( -0.765 -6.183 3.071) 6.945 25.226 ( 0.229 -5.906 1.027) 5.999 25.407 ( 3.683 4.859 -3.456) 7.009 25.548 ( 2.159 4.144 0.194) 4.676======================= Grid point 70 (29/108) =======================q-point: ( 0.36 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.852 ( 16.533 -0.229 -1.826) 16.635 3.174 ( 11.831 4.009 8.846) 15.306 3.316 ( 26.717 1.617 -13.165) 29.828 3.403 ( 2.000 -2.191 4.771) 5.617 3.546 ( -10.202 2.449 8.204) 13.319 3.925 ( 20.075 -6.933 -2.889) 21.434 4.306 ( -3.876 -4.483 -0.087) 5.926 4.462 ( -3.118 -1.914 -5.129) 6.300 4.940 ( -16.524 2.387 0.835) 16.717 5.196 ( 19.414 17.008 -6.806) 26.693 5.299 ( -9.826 -7.588 -4.218) 13.112 5.691 ( 7.737 7.458 -1.703) 10.880 6.396 ( 12.027 -8.448 5.059) 15.543 7.236 ( -4.508 -9.653 26.721) 28.767 7.604 ( 8.438 -5.513 -10.562) 14.600 7.954 ( 2.109 2.528 -7.189) 7.907 8.005 ( 6.813 9.207 -4.775) 12.410 8.465 ( 0.817 3.724 -0.261) 3.822 8.745 ( 9.157 -1.903 5.157) 10.680 8.845 ( 0.879 -0.007 0.873) 1.239 9.094 ( 5.905 -11.402 -5.356) 13.912 9.255 ( 1.553 8.309 4.700) 9.671 9.508 ( -6.244 3.205 2.781) 7.549 9.619 ( -7.396 6.326 3.806) 10.450 9.870 ( -6.414 -0.994 1.769) 6.727 10.169 ( -10.557 -2.288 -1.181) 10.867 10.809 ( 2.136 4.226 -7.250) 8.659 10.840 ( 0.197 -0.527 9.291) 9.308 11.114 ( -6.935 4.438 -6.366) 10.408 11.261 ( -5.034 -5.226 10.915) 13.107 11.474 ( -2.653 -7.354 1.001) 7.882 11.493 ( 3.754 0.981 12.586) 13.170 11.811 ( -11.007 -10.356 5.364) 16.036 12.159 ( -13.396 -0.106 8.731) 15.990 12.398 ( -3.949 -3.474 -9.960) 11.263 12.597 ( -5.406 6.958 -10.553) 13.748 12.722 ( -2.117 10.437 -5.846) 12.149 12.963 ( -5.441 14.704 -3.464) 16.057 13.506 ( -1.930 -8.540 2.700) 9.163 13.543 ( -3.687 -6.086 10.509) 12.692 13.883 ( 13.727 1.068 -5.857) 14.963 13.980 ( 4.682 -5.941 3.133) 8.187 14.102 ( 2.256 -4.145 2.988) 5.586 14.314 ( 8.729 2.642 -5.697) 10.753 14.421 ( 4.759 0.768 2.276) 5.331 14.480 ( 11.772 0.434 -16.138) 19.981 14.680 ( 4.954 -2.572 -8.188) 9.909 15.030 ( 5.196 -1.353 -17.447) 18.254 15.280 ( 7.406 3.653 -7.372) 11.070 15.469 ( 0.780 11.142 -0.402) 11.177 15.540 ( -11.799 7.622 -4.510) 14.753 15.900 ( -5.398 -2.126 -12.311) 13.610 16.283 ( 4.244 -5.267 8.059) 10.522 16.362 ( 6.591 -9.908 10.788) 16.062 16.574 ( 4.967 0.515 -9.894) 11.083 16.694 ( 2.177 0.855 -7.401) 7.761 16.969 ( -3.721 5.527 -18.659) 19.813 17.118 ( 5.179 -0.039 -12.441) 13.476 17.370 ( -10.135 -5.347 -13.602) 17.786 17.698 ( -10.410 -14.491 -9.166) 20.059 18.097 ( 4.921 3.075 4.657) 7.440 18.562 ( -8.770 -0.211 8.211) 12.016 18.694 ( 4.038 9.779 1.000) 10.627 19.369 ( 11.514 -3.481 2.010) 12.195 19.918 ( -27.688 14.278 22.611) 38.493 20.708 ( -26.161 -11.477 12.637) 31.238 23.770 ( 4.391 6.681 -15.243) 17.212 24.348 ( -12.264 4.438 -8.109) 15.358 24.929 ( 1.539 -13.170 4.393) 13.968 25.173 ( -4.501 -10.811 2.970) 12.081 25.514 ( 5.938 7.917 -4.674) 10.945 25.610 ( 3.112 5.578 -1.897) 6.664======================= Grid point 71 (30/108) =======================q-point: ( 0.45 0.25 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.120 ( 10.022 -3.250 -0.620) 10.554 3.264 ( -1.951 0.371 7.821) 8.070 3.375 ( 0.028 2.071 3.350) 3.939 3.457 ( -2.766 1.024 -1.456) 3.290 3.910 ( 27.831 4.440 -10.256) 29.991 4.101 ( 4.536 -1.263 -0.957) 4.805 4.273 ( -6.927 -1.569 2.384) 7.492 4.495 ( -21.400 3.232 -2.625) 21.802 4.612 ( 16.854 -10.436 -1.232) 19.861 5.003 ( -17.561 -8.543 -3.131) 19.778 5.544 ( 12.578 12.826 -14.463) 23.063 5.715 ( -4.221 9.939 -16.009) 19.310 6.743 ( 18.586 -5.166 19.372) 27.339 7.064 ( -12.275 -7.216 23.554) 27.523 7.786 ( 8.738 -4.012 -4.833) 10.761 7.927 ( -4.473 -1.013 -4.036) 6.109 8.172 ( 9.218 9.703 -4.270) 14.048 8.363 ( -8.879 7.422 -0.834) 11.602 8.882 ( 4.413 -7.657 -0.454) 8.850 8.903 ( 2.748 -3.217 -0.850) 4.315 9.199 ( 3.799 -2.464 -1.637) 4.815 9.279 ( -3.224 6.365 1.085) 7.217 9.464 ( 4.906 1.619 8.494) 9.941 9.558 ( -1.540 1.646 7.137) 7.485 9.769 ( -0.499 1.220 -4.847) 5.023 9.920 ( -12.367 0.612 -4.021) 13.019 10.827 ( 0.787 3.299 -1.251) 3.614 10.853 ( -1.109 -0.078 8.885) 8.954 11.034 ( 1.372 3.517 -5.034) 6.292 11.133 ( -6.555 -1.183 6.079) 9.018 11.495 ( 3.821 -11.906 7.679) 14.674 11.603 ( -3.278 -8.743 3.233) 9.881 11.655 ( 5.343 0.405 15.828) 16.710 11.880 ( -13.114 1.635 10.455) 16.851 12.369 ( 1.128 -1.882 -10.776) 10.997 12.447 ( -6.431 -0.887 -11.211) 12.955 12.761 ( 3.687 16.852 -3.938) 17.695 12.852 ( -5.162 15.445 -3.640) 16.686 13.478 ( -0.602 -8.473 5.723) 10.243 13.487 ( -1.558 -8.212 6.877) 10.824 14.019 ( 1.886 -9.180 7.762) 12.169 14.034 ( 0.315 -9.253 6.082) 11.077 14.299 ( 13.431 -3.492 -13.432) 19.314 14.424 ( -0.893 1.291 -7.533) 7.695 14.436 ( 4.760 5.824 -4.551) 8.791 14.600 ( -6.365 -10.378 -10.982) 16.396 14.845 ( 13.438 8.391 -10.297) 18.895 15.084 ( -5.644 6.945 -5.838) 10.685 15.321 ( 1.150 7.762 -15.658) 17.514 15.431 ( -4.928 9.110 -5.460) 11.709 15.517 ( 10.117 4.738 -13.792) 17.749 15.733 ( -10.232 1.644 -15.944) 19.016 16.364 ( 3.572 -5.371 9.281) 11.303 16.419 ( -1.133 -5.578 10.493) 11.938 16.668 ( 4.909 -2.432 -9.351) 10.838 16.724 ( -0.085 1.245 -4.866) 5.024 16.964 ( 3.944 -0.909 -14.531) 15.084 17.124 ( -10.018 -7.164 -16.796) 20.827 17.285 ( 7.716 -3.132 -13.127) 15.546 17.480 ( -10.588 -7.921 -13.108) 18.619 18.235 ( 7.700 3.519 5.330) 10.004 18.393 ( -7.925 1.619 7.534) 11.053 18.880 ( 14.467 8.978 2.601) 17.224 19.258 ( -20.882 8.845 -0.090) 22.678 19.807 ( 15.538 -3.222 22.858) 27.826 20.208 ( -22.620 -8.802 16.015) 29.079 23.888 ( 7.747 8.263 -10.848) 15.684 24.092 ( -12.002 7.715 -8.791) 16.759 24.982 ( 3.646 -15.229 3.721) 16.096 25.072 ( -4.990 -13.895 3.313) 15.131 25.616 ( 3.611 7.945 -4.610) 9.870 25.649 ( 0.368 6.812 -3.749) 7.784======================= Grid point 77 (31/108) =======================q-point: ( 0.00 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.672 ( 0.000 -4.370 16.123) 16.704 1.672 ( 0.000 4.370 16.123) 16.704 2.334 ( 0.000 -8.838 18.374) 20.389 2.334 ( 0.000 8.838 18.374) 20.389 3.350 ( 0.000 -46.628 17.472) 49.794 3.350 ( 0.000 46.628 17.472) 49.794 4.377 ( 0.000 -6.692 16.369) 17.684 4.377 ( 0.000 6.692 16.369) 17.684 4.621 ( 0.000 -12.424 -9.595) 15.698 4.621 ( 0.000 12.424 -9.595) 15.698 5.217 ( 0.000 -15.782 13.241) 20.600 5.217 ( 0.000 15.782 13.241) 20.600 6.126 ( 0.000 -6.710 4.509) 8.084 6.126 ( 0.000 6.710 4.509) 8.084 7.296 ( 0.000 -18.244 15.244) 23.774 7.296 ( 0.000 18.244 15.244) 23.774 7.820 ( 0.000 -5.152 -13.503) 14.453 7.820 ( 0.000 5.152 -13.503) 14.453 8.507 ( 0.000 -4.259 6.932) 8.136 8.507 ( 0.000 4.259 6.932) 8.136 9.487 ( 0.000 -15.964 -10.581) 19.153 9.487 ( 0.000 15.964 -10.581) 19.153 10.105 ( 0.000 -2.812 17.723) 17.945 10.105 ( 0.000 2.812 17.723) 17.945 10.192 ( 0.000 -5.061 0.702) 5.109 10.192 ( 0.000 5.061 0.702) 5.109 11.021 ( 0.000 -12.104 0.139) 12.105 11.021 ( 0.000 12.104 0.139) 12.105 11.072 ( 0.000 -14.527 0.912) 14.556 11.072 ( 0.000 14.527 0.912) 14.556 12.179 ( 0.000 -0.762 1.927) 2.072 12.179 ( 0.000 0.762 1.927) 2.072 12.368 ( 0.000 -0.373 -0.884) 0.960 12.368 ( 0.000 0.373 -0.884) 0.960 12.603 ( 0.000 -0.581 -9.752) 9.769 12.603 ( 0.000 0.581 -9.752) 9.769 12.981 ( 0.000 -5.562 -7.223) 9.116 12.981 ( 0.000 5.562 -7.223) 9.116 13.441 ( 0.000 -2.328 -7.096) 7.468 13.441 ( 0.000 2.328 -7.096) 7.468 13.581 ( 0.000 -2.592 12.072) 12.347 13.581 ( 0.000 2.592 12.072) 12.347 13.836 ( 0.000 -8.942 5.527) 10.512 13.836 ( 0.000 8.942 5.527) 10.512 14.100 ( 0.000 -5.983 3.231) 6.799 14.100 ( 0.000 5.983 3.231) 6.799 14.591 ( 0.000 -3.516 -1.407) 3.787 14.591 ( 0.000 3.516 -1.407) 3.787 15.577 ( 0.000 -4.239 -12.915) 13.593 15.577 ( 0.000 4.239 -12.915) 13.593 15.700 ( 0.000 -3.777 -7.093) 8.036 15.700 ( 0.000 3.777 -7.093) 8.036 16.088 ( 0.000 -4.411 -4.226) 6.108 16.088 ( 0.000 4.411 -4.226) 6.108 16.191 ( 0.000 -2.764 10.506) 10.864 16.191 ( 0.000 2.764 10.506) 10.864 17.400 ( 0.000 -0.818 8.617) 8.655 17.400 ( 0.000 0.818 8.617) 8.655 17.743 ( 0.000 -0.016 -11.630) 11.630 17.743 ( 0.000 0.016 -11.630) 11.630 18.567 ( 0.000 -6.301 -9.903) 11.738 18.567 ( 0.000 6.301 -9.903) 11.738 18.958 ( 0.000 -1.260 10.921) 10.994 18.958 ( 0.000 1.260 10.921) 10.994 22.127 ( 0.000 -0.034 5.130) 5.130 22.127 ( 0.000 0.034 5.130) 5.130 23.666 ( 0.000 -6.958 12.057) 13.920 23.666 ( 0.000 6.958 12.057) 13.920 24.961 ( 0.000 -3.565 -6.624) 7.522 24.961 ( 0.000 3.565 -6.624) 7.522 25.499 ( 0.000 -4.421 -6.719) 8.043 25.499 ( 0.000 4.421 -6.719) 8.043======================= Grid point 79 (32/108) =======================q-point: ( 0.09 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.747 ( 9.655 -0.000 10.294) 14.113 1.856 ( 13.257 0.000 16.242) 20.965 2.308 ( 4.782 0.000 15.582) 16.299 2.349 ( 4.540 0.000 15.865) 16.501 3.516 ( 16.532 -0.000 10.466) 19.566 3.799 ( 31.235 0.000 20.055) 37.119 4.281 ( -9.621 0.000 -8.992) 13.169 4.338 ( 3.445 0.000 8.227) 8.919 4.526 ( -0.613 0.000 10.326) 10.344 4.883 ( -7.824 0.000 2.982) 8.373 5.010 ( 7.630 0.000 5.110) 9.183 5.463 ( 8.839 0.000 10.003) 13.349 6.303 ( 15.608 0.000 -3.361) 15.965 6.465 ( 20.433 0.000 2.879) 20.635 7.039 ( 1.251 0.000 2.225) 2.553 7.728 ( 8.909 0.000 14.413) 16.944 7.790 ( 9.492 -0.000 -9.212) 13.227 7.833 ( 1.006 0.000 -14.461) 14.496 8.360 ( -4.447 0.000 4.902) 6.618 8.594 ( 0.133 0.000 15.047) 15.047 9.409 ( -7.020 -0.000 -6.584) 9.624 9.528 ( 1.193 0.000 -13.273) 13.327 9.866 ( -4.605 0.000 12.456) 13.280 10.109 ( -3.692 0.000 -3.721) 5.242 10.234 ( -0.637 0.000 0.641) 0.904 10.369 ( 2.966 0.000 17.049) 17.305 10.909 ( -1.660 0.000 2.223) 2.775 11.000 ( -3.013 0.000 -5.970) 6.687 11.076 ( 2.023 -0.000 -2.178) 2.972 11.193 ( 4.235 0.000 10.415) 11.243 12.101 ( -14.719 -0.000 0.221) 14.720 12.188 ( -0.366 0.000 3.207) 3.228 12.356 ( 2.948 0.000 -0.011) 2.948 12.389 ( -0.989 0.000 4.178) 4.293 12.496 ( -4.323 0.000 -10.574) 11.423 12.773 ( 9.325 0.000 -20.929) 22.912 12.787 ( -0.822 0.000 -9.892) 9.926 13.000 ( 1.306 0.000 1.541) 2.020 13.414 ( -10.884 -0.000 1.598) 11.001 13.439 ( 1.957 0.000 -10.638) 10.817 13.597 ( -1.499 0.000 7.266) 7.419 13.620 ( 8.037 -0.000 4.209) 9.072 13.901 ( 6.940 0.000 5.530) 8.874 13.934 ( 4.035 -0.000 2.431) 4.710 14.043 ( -7.056 0.000 8.376) 10.952 14.084 ( 2.086 -0.000 10.118) 10.331 14.494 ( -0.314 0.000 -5.582) 5.590 14.666 ( 0.777 0.000 1.455) 1.650 15.539 ( -3.801 0.000 -7.243) 8.180 15.593 ( 1.422 0.000 -8.168) 8.290 15.738 ( 3.142 0.000 -12.096) 12.497 15.740 ( 2.040 -0.000 -6.039) 6.374 15.941 ( -4.990 0.000 -2.370) 5.524 16.135 ( -1.652 0.000 -0.639) 1.771 16.211 ( 4.800 0.000 6.114) 7.773 16.343 ( 9.253 0.000 5.402) 10.715 17.075 ( -15.673 0.000 -7.742) 17.481 17.362 ( -6.077 0.000 -2.556) 6.593 17.528 ( 4.204 0.000 8.355) 9.353 18.120 ( -1.672 0.000 -6.316) 6.534 18.601 ( -10.821 0.000 7.321) 13.065 18.647 ( 3.563 0.000 -6.070) 7.039 18.703 ( 6.963 0.000 -1.840) 7.202 19.079 ( 0.378 0.000 4.732) 4.748 21.873 ( -17.539 0.000 2.946) 17.785 22.061 ( -13.363 0.000 11.368) 17.544 23.436 ( 0.670 0.000 -8.414) 8.440 24.159 ( 20.145 0.000 15.475) 25.403 24.899 ( 1.054 0.000 -8.540) 8.604 25.092 ( 5.687 0.000 -1.059) 5.785 25.414 ( -3.982 0.000 -9.004) 9.846 25.544 ( 0.940 0.000 -2.487) 2.659======================= Grid point 81 (33/108) =======================q-point: ( 0.18 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.064 ( 21.764 -0.000 1.842) 21.842 2.148 ( 16.266 0.000 14.074) 21.509 2.564 ( 18.470 -0.000 11.114) 21.556 2.660 ( 24.070 0.000 7.021) 25.073 3.694 ( -4.310 -0.000 -2.484) 4.975 4.191 ( 7.172 0.000 -5.551) 9.069 4.238 ( -10.463 0.000 19.648) 22.260 4.535 ( 19.626 -0.000 -1.759) 19.705 4.596 ( 16.857 0.000 7.756) 18.555 4.761 ( 3.060 0.000 15.297) 15.600 5.176 ( 6.159 0.000 -5.528) 8.276 5.554 ( -0.152 0.000 4.780) 4.783 6.292 ( -10.050 0.000 -5.145) 11.290 6.840 ( 15.694 0.000 7.992) 17.612 7.473 ( 29.307 0.000 -9.494) 30.807 7.595 ( -8.818 0.000 -5.164) 10.219 7.868 ( 2.515 0.000 -15.232) 15.439 8.220 ( 19.053 0.000 1.225) 19.092 8.359 ( 4.901 0.000 8.050) 9.425 8.564 ( -1.355 0.000 17.976) 18.027 9.214 ( -11.336 -0.000 -4.099) 12.054 9.461 ( -5.890 0.000 2.688) 6.474 9.887 ( 0.082 0.000 0.202) 0.218 10.032 ( -4.448 0.000 -7.932) 9.094 10.194 ( -0.393 0.000 -2.355) 2.388 10.225 ( -12.363 0.000 8.648) 15.088 10.913 ( -0.403 -0.000 0.718) 0.823 10.920 ( -4.546 0.000 -5.193) 6.902 11.151 ( 4.546 0.000 4.845) 6.644 11.234 ( 0.478 0.000 11.567) 11.577 11.753 ( -17.354 0.000 3.983) 17.805 11.977 ( -16.326 0.000 11.302) 19.856 12.154 ( -12.803 -0.000 -15.270) 19.927 12.480 ( 3.492 -0.000 1.309) 3.729 12.502 ( -1.068 0.000 -9.274) 9.335 12.854 ( 1.945 0.000 -12.429) 12.580 13.094 ( 20.990 0.000 3.973) 21.363 13.120 ( -7.881 -0.000 -11.498) 13.940 13.253 ( 10.722 0.000 -8.410) 13.627 13.432 ( -2.731 0.000 -9.585) 9.966 13.610 ( 4.786 0.000 0.052) 4.786 13.704 ( -1.665 0.000 20.489) 20.556 13.924 ( -1.904 0.000 -1.051) 2.174 13.933 ( 1.205 -0.000 1.980) 2.317 14.068 ( 8.635 -0.000 6.113) 10.579 14.214 ( 7.585 0.000 8.332) 11.267 14.546 ( 3.845 0.000 -7.105) 8.079 14.676 ( 1.340 0.000 -0.593) 1.466 15.436 ( -5.564 0.000 -7.629) 9.442 15.607 ( -0.246 0.000 2.280) 2.293 15.747 ( -0.384 0.000 -8.872) 8.881 15.834 ( 6.990 0.000 -7.196) 10.032 15.896 ( -0.074 0.000 -1.056) 1.059 16.124 ( 0.952 0.000 4.681) 4.777 16.353 ( 7.910 0.000 0.963) 7.969 16.497 ( 5.603 0.000 -4.343) 7.089 16.936 ( -0.376 0.000 -9.568) 9.576 17.314 ( -0.133 0.000 -4.916) 4.918 17.573 ( 0.196 0.000 5.822) 5.825 17.917 ( -14.365 0.000 -8.496) 16.690 18.260 ( -13.470 0.000 7.371) 15.355 18.803 ( 2.875 0.000 -7.377) 7.917 18.822 ( 3.205 -0.000 7.148) 7.834 19.026 ( -2.934 0.000 0.348) 2.954 21.451 ( -23.255 0.000 6.146) 24.054 21.602 ( -30.245 -0.000 14.768) 33.657 23.576 ( 9.557 0.000 -22.588) 24.527 24.417 ( 6.777 0.000 6.179) 9.171 24.944 ( 0.364 0.000 -2.571) 2.597 25.166 ( 1.321 0.000 2.712) 3.016 25.378 ( 1.349 0.000 -8.356) 8.464 25.556 ( 0.904 0.000 0.615) 1.093======================= Grid point 83 (34/108) =======================q-point: ( 0.27 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.517 ( 18.720 -0.000 4.537) 19.262 2.608 ( 30.617 0.000 -2.161) 30.693 2.969 ( 19.633 0.000 4.940) 20.245 3.218 ( 28.939 0.000 4.756) 29.327 3.512 ( -8.776 0.000 -1.404) 8.888 3.895 ( -17.773 0.000 12.617) 21.796 4.371 ( 5.843 0.000 -4.815) 7.571 4.521 ( -9.700 0.000 -3.657) 10.366 4.968 ( 18.063 -0.000 3.130) 18.332 5.235 ( 1.174 0.000 -0.398) 1.240 5.276 ( 27.768 0.000 2.827) 27.911 5.464 ( -7.567 0.000 -2.054) 7.841 6.143 ( -1.668 -0.000 -2.024) 2.622 7.082 ( 7.061 0.000 24.977) 25.955 7.458 ( -2.648 0.000 -12.566) 12.842 7.903 ( 7.879 0.000 -10.788) 13.359 7.972 ( 11.045 0.000 -8.455) 13.910 8.426 ( 6.442 0.000 3.217) 7.201 8.587 ( 4.282 0.000 10.366) 11.216 8.637 ( 16.720 0.000 -0.194) 16.722 8.982 ( -10.769 0.000 -3.481) 11.317 9.364 ( -2.729 0.000 10.650) 10.994 9.755 ( -10.176 0.000 0.659) 10.197 9.903 ( -8.914 -0.000 -8.046) 12.008 9.994 ( -8.706 0.000 5.097) 10.089 10.228 ( -0.077 0.000 -3.338) 3.339 10.850 ( -1.015 0.000 -6.727) 6.803 10.882 ( -2.095 0.000 3.720) 4.269 11.229 ( -1.074 -0.000 13.858) 13.899 11.232 ( 1.989 0.000 2.925) 3.537 11.475 ( -7.750 0.000 6.922) 10.391 11.635 ( -16.109 0.000 11.256) 19.652 11.907 ( -11.696 0.000 -11.455) 16.371 12.398 ( -9.991 -0.000 6.479) 11.908 12.449 ( -3.791 0.000 -10.578) 11.237 12.853 ( -12.402 0.000 -17.531) 21.474 12.941 ( 3.638 0.000 -6.650) 7.580 13.319 ( 1.525 -0.000 4.835) 5.070 13.359 ( -3.942 0.000 -11.241) 11.912 13.455 ( -0.749 0.000 6.533) 6.575 13.701 ( 7.826 0.000 6.235) 10.006 13.799 ( 7.001 0.000 13.874) 15.540 13.974 ( 10.633 -0.000 -9.341) 14.153 14.065 ( 8.599 0.000 -5.224) 10.061 14.251 ( 9.655 -0.000 4.264) 10.554 14.347 ( 5.645 0.000 -1.415) 5.819 14.634 ( 5.039 0.000 -11.862) 12.888 14.744 ( 5.955 0.000 -7.628) 9.677 15.350 ( -1.916 0.000 -9.607) 9.796 15.602 ( -0.402 0.000 5.462) 5.477 15.743 ( -0.506 0.000 -10.204) 10.217 15.901 ( -0.142 0.000 -1.181) 1.190 16.027 ( 11.135 0.000 2.994) 11.530 16.135 ( 0.080 -0.000 10.029) 10.029 16.498 ( 5.866 0.000 -3.907) 7.048 16.599 ( 5.256 0.000 -13.068) 14.085 16.981 ( 3.388 0.000 -10.200) 10.748 17.297 ( -2.612 0.000 -8.138) 8.547 17.515 ( -9.285 0.000 -9.100) 13.001 17.619 ( -10.796 0.000 -4.003) 11.514 18.096 ( -2.555 0.000 1.777) 3.113 18.743 ( -8.692 0.000 9.414) 12.813 18.807 ( -0.890 0.000 -4.162) 4.256 19.098 ( 8.791 0.000 3.842) 9.594 20.908 ( -36.277 0.000 15.021) 39.264 20.956 ( -24.815 -0.000 11.502) 27.351 23.749 ( 7.173 0.000 -24.429) 25.461 24.478 ( -0.582 0.000 0.236) 0.628 24.882 ( -5.335 0.000 0.248) 5.341 25.138 ( -4.078 0.000 5.512) 6.857 25.464 ( 6.292 0.000 -6.277) 8.887 25.597 ( 3.206 0.000 0.293) 3.220======================= Grid point 85 (35/108) =======================q-point: ( 0.36 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.856 ( 13.914 0.000 -2.830) 14.199 3.222 ( 22.001 0.000 12.446) 25.278 3.342 ( 22.243 0.000 -13.427) 25.982 3.373 ( -2.332 0.000 1.375) 2.707 3.574 ( -12.859 0.000 6.553) 14.432 3.835 ( 29.048 0.000 6.452) 29.756 4.299 ( -10.286 0.000 -4.744) 11.327 4.381 ( -4.249 -0.000 0.599) 4.291 5.042 ( -15.172 0.000 -6.124) 16.361 5.134 ( -9.620 0.000 -2.015) 9.829 5.495 ( 13.872 0.000 -9.960) 17.077 5.709 ( 11.823 -0.000 -14.675) 18.845 6.302 ( 16.798 0.000 16.248) 23.370 7.094 ( -4.400 0.000 30.350) 30.667 7.539 ( 8.928 0.000 -11.296) 14.398 7.985 ( 0.743 0.000 -9.122) 9.152 8.138 ( 6.511 0.000 0.165) 6.513 8.532 ( 2.668 -0.000 1.367) 2.998 8.713 ( 6.257 0.000 -0.367) 6.268 8.807 ( -5.310 0.000 -2.452) 5.849 8.955 ( 14.307 0.000 -3.061) 14.631 9.365 ( 2.649 0.000 12.143) 12.429 9.555 ( -8.855 0.000 1.285) 8.948 9.713 ( -8.324 -0.000 -0.332) 8.331 9.850 ( -6.169 0.000 -2.490) 6.653 10.124 ( -9.148 0.000 -2.481) 9.479 10.859 ( 0.371 -0.000 11.257) 11.264 10.888 ( 3.125 0.000 -6.144) 6.893 11.162 ( -6.296 -0.000 -2.850) 6.911 11.177 ( -3.919 0.000 16.630) 17.086 11.370 ( -8.745 0.000 6.005) 10.608 11.506 ( 7.681 0.000 9.745) 12.408 11.672 ( -11.393 0.000 -5.790) 12.780 12.153 ( -12.784 0.000 9.466) 15.907 12.372 ( -2.980 0.000 -11.026) 11.422 12.610 ( -10.687 0.000 -14.678) 18.156 12.998 ( 1.470 0.000 -4.010) 4.271 13.221 ( -6.960 -0.000 -2.742) 7.480 13.343 ( -0.153 0.000 -3.693) 3.697 13.375 ( -3.782 0.000 6.696) 7.691 13.855 ( 4.801 -0.000 10.438) 11.489 13.866 ( 2.271 0.000 16.624) 16.778 14.201 ( 7.746 -0.000 -10.780) 13.274 14.224 ( 6.322 0.000 -10.369) 12.144 14.449 ( 8.264 -0.000 -1.393) 8.380 14.454 ( 4.622 0.000 -3.667) 5.900 14.759 ( 8.116 0.000 -18.837) 20.511 14.941 ( 13.089 0.000 -13.212) 18.598 15.381 ( 4.510 0.000 -9.359) 10.389 15.538 ( -6.971 0.000 1.575) 7.147 15.731 ( -0.181 0.000 -10.626) 10.627 15.859 ( -4.421 -0.000 -4.258) 6.138 16.162 ( 3.232 -0.000 5.108) 6.044 16.244 ( 9.081 -0.000 10.578) 13.941 16.585 ( 2.861 0.000 -9.460) 9.883 16.704 ( 4.239 0.000 -8.775) 9.746 17.035 ( 0.825 0.000 -16.265) 16.286 17.212 ( -15.009 0.000 -20.127) 25.108 17.212 ( -3.863 -0.000 -8.087) 8.962 17.501 ( -5.094 -0.000 -0.605) 5.130 18.138 ( 5.794 0.000 0.189) 5.797 18.563 ( -8.177 0.000 9.152) 12.273 18.826 ( 4.040 0.000 -2.161) 4.581 19.311 ( 11.034 0.000 4.870) 12.061 20.193 ( -32.469 0.000 16.786) 36.551 20.469 ( -22.622 -0.000 16.436) 27.962 23.881 ( 6.383 -0.000 -21.265) 22.202 24.397 ( -7.149 0.000 -7.349) 10.253 24.783 ( -3.201 0.000 5.977) 6.780 25.017 ( -7.221 -0.000 7.820) 10.644 25.602 ( 6.587 0.000 -5.780) 8.763 25.673 ( 3.729 0.000 -2.052) 4.257======================= Grid point 87 (36/108) =======================q-point: ( 0.45 -0.50 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.084 ( 9.221 0.000 -0.545) 9.238 3.265 ( -8.689 0.000 9.274) 12.709 3.399 ( 4.091 -0.000 0.907) 4.190 3.468 ( -0.960 0.000 -1.587) 1.855 3.930 ( 26.553 0.000 -6.464) 27.329 4.206 ( 4.855 0.000 -5.414) 7.272 4.223 ( -7.527 -0.000 6.714) 10.087 4.405 ( 23.394 0.000 2.453) 23.522 4.605 ( -24.883 -0.000 -11.984) 27.619 4.848 ( -18.304 0.000 0.818) 18.322 5.747 ( 8.548 0.000 -17.205) 19.212 5.823 ( 0.818 -0.000 -20.258) 20.275 6.677 ( 17.072 0.000 22.801) 28.485 6.950 ( -9.866 0.000 25.694) 27.523 7.741 ( 9.895 0.000 -3.571) 10.520 7.914 ( -6.694 0.000 -1.410) 6.841 8.311 ( 9.782 0.000 -5.686) 11.315 8.488 ( -6.544 0.000 -4.539) 7.964 8.783 ( 1.447 0.000 -1.442) 2.043 8.793 ( 1.390 -0.000 -1.993) 2.430 9.200 ( 9.425 0.000 0.100) 9.426 9.365 ( -7.161 -0.000 0.408) 7.172 9.476 ( 4.733 0.000 12.907) 13.747 9.586 ( -5.055 0.000 9.773) 11.003 9.780 ( 1.434 0.000 -10.327) 10.426 9.917 ( -10.026 0.000 -7.153) 12.316 10.883 ( 0.816 -0.000 19.155) 19.173 10.897 ( -1.485 0.000 10.501) 10.606 11.073 ( -0.744 0.000 -6.398) 6.441 11.119 ( -2.733 -0.000 1.443) 3.091 11.305 ( 3.085 0.000 3.390) 4.584 11.453 ( -9.792 0.000 -1.833) 9.962 11.694 ( 10.100 0.000 10.414) 14.507 11.908 ( -11.126 0.000 10.575) 15.350 12.353 ( 1.407 0.000 -11.464) 11.550 12.433 ( -6.447 0.000 -12.800) 14.332 13.024 ( 1.815 0.000 -0.694) 1.943 13.093 ( -5.092 -0.000 -1.102) 5.210 13.330 ( -0.693 -0.000 -0.268) 0.743 13.334 ( -0.636 0.000 -3.152) 3.216 13.905 ( 1.227 -0.000 17.529) 17.572 13.908 ( 0.999 0.000 15.847) 15.879 14.296 ( 2.463 0.000 -13.362) 13.587 14.307 ( 1.671 0.000 -12.556) 12.667 14.520 ( 1.921 -0.000 -5.563) 5.885 14.534 ( 0.814 0.000 -5.153) 5.217 14.991 ( 13.467 0.000 -14.721) 19.951 15.180 ( 3.277 0.000 -4.749) 5.770 15.379 ( -2.392 0.000 -14.174) 14.374 15.458 ( -0.142 -0.000 -8.062) 8.064 15.724 ( -0.774 0.000 -11.741) 11.767 15.743 ( -4.679 -0.000 -13.170) 13.977 16.260 ( 5.693 -0.000 2.449) 6.197 16.342 ( -0.505 -0.000 8.634) 8.649 16.643 ( 3.969 0.000 -9.949) 10.711 16.729 ( -2.488 0.000 -5.234) 5.795 16.981 ( -3.313 0.000 -14.287) 14.666 16.995 ( -5.465 -0.000 -14.821) 15.796 17.240 ( 5.629 0.000 -10.402) 11.827 17.377 ( -6.981 0.000 -7.042) 9.915 18.282 ( 7.263 0.000 3.375) 8.009 18.418 ( -6.411 0.000 7.657) 9.987 19.013 ( 14.907 0.000 -3.033) 15.212 19.373 ( -13.938 0.000 -9.372) 16.796 19.787 ( 2.267 0.000 29.799) 29.885 20.052 ( -18.064 -0.000 21.166) 27.826 24.027 ( 8.296 -0.000 -17.290) 19.177 24.215 ( -9.801 0.000 -13.360) 16.570 24.775 ( 2.430 0.000 9.447) 9.755 24.871 ( -6.519 -0.000 9.363) 11.408 25.706 ( 3.241 0.000 -5.390) 6.289 25.727 ( 1.110 0.000 -4.232) 4.375======================= Grid point 110 (37/108) =======================q-point: ( 0.00 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( 0.000 0.000 35.367) 35.367 2.075 ( 0.000 0.000 44.064) 44.064 2.838 ( 0.000 0.000 51.159) 51.159 2.894 ( 0.000 0.000 8.991) 8.991 3.395 ( 0.000 0.000 -11.327) 11.327 3.609 ( 0.000 0.000 -2.703) 2.703 3.907 ( 0.000 0.000 16.217) 16.217 4.679 ( 0.000 0.000 8.061) 8.061 4.972 ( 0.000 0.000 -9.282) 9.282 5.084 ( 0.000 0.000 -2.482) 2.482 5.380 ( 0.000 0.000 25.865) 25.865 5.997 ( 0.000 0.000 4.201) 4.201 6.104 ( 0.000 0.000 13.815) 13.815 6.564 ( 0.000 0.000 12.860) 12.860 7.050 ( 0.000 0.000 -10.141) 10.141 7.350 ( 0.000 0.000 -0.365) 0.365 7.840 ( 0.000 0.000 -9.772) 9.772 8.268 ( 0.000 0.000 -6.196) 6.196 8.381 ( 0.000 0.000 -6.195) 6.195 8.584 ( 0.000 0.000 4.066) 4.066 9.068 ( 0.000 0.000 24.724) 24.724 9.893 ( 0.000 0.000 1.224) 1.224 9.912 ( 0.000 0.000 -1.236) 1.236 10.147 ( 0.000 0.000 -1.275) 1.275 10.207 ( 0.000 0.000 12.429) 12.429 10.627 ( 0.000 0.000 -1.159) 1.159 10.819 ( 0.000 0.000 16.022) 16.022 10.890 ( 0.000 0.000 1.349) 1.349 11.225 ( 0.000 0.000 3.433) 3.433 11.242 ( 0.000 0.000 -8.258) 8.258 12.138 ( 0.000 0.000 -18.208) 18.208 12.144 ( 0.000 0.000 -0.321) 0.321 12.320 ( 0.000 0.000 -4.308) 4.308 12.503 ( 0.000 0.000 4.297) 4.297 12.511 ( 0.000 0.000 3.516) 3.516 12.776 ( 0.000 0.000 -12.427) 12.427 12.893 ( 0.000 0.000 -7.355) 7.355 12.901 ( 0.000 0.000 -0.944) 0.944 12.907 ( 0.000 0.000 -2.722) 2.722 12.926 ( 0.000 0.000 -10.286) 10.286 13.506 ( 0.000 0.000 1.473) 1.473 13.612 ( 0.000 0.000 11.894) 11.894 13.787 ( 0.000 0.000 4.958) 4.958 14.025 ( 0.000 0.000 -0.817) 0.817 14.266 ( 0.000 0.000 -0.783) 0.783 14.464 ( 0.000 0.000 2.287) 2.287 14.689 ( 0.000 0.000 -21.052) 21.052 14.744 ( 0.000 0.000 2.813) 2.813 15.042 ( 0.000 0.000 -0.085) 0.085 15.507 ( 0.000 0.000 -7.506) 7.506 15.658 ( 0.000 0.000 9.448) 9.448 15.696 ( 0.000 0.000 -9.764) 9.764 15.696 ( 0.000 0.000 -10.185) 10.185 16.159 ( 0.000 0.000 3.182) 3.182 16.507 ( 0.000 0.000 10.421) 10.421 16.586 ( 0.000 0.000 19.980) 19.980 17.581 ( 0.000 0.000 0.524) 0.524 17.599 ( 0.000 0.000 -5.924) 5.924 17.643 ( 0.000 0.000 -3.678) 3.678 17.694 ( 0.000 0.000 0.665) 0.665 18.488 ( 0.000 0.000 -13.148) 13.148 18.529 ( 0.000 0.000 -6.858) 6.858 18.554 ( 0.000 0.000 -3.175) 3.175 18.911 ( 0.000 0.000 -0.578) 0.578 22.229 ( 0.000 0.000 5.818) 5.818 22.335 ( 0.000 0.000 13.057) 13.057 23.634 ( 0.000 0.000 6.241) 6.241 24.407 ( 0.000 0.000 -5.553) 5.553 24.722 ( 0.000 0.000 -3.166) 3.166 24.879 ( 0.000 0.000 -7.279) 7.279 24.965 ( 0.000 0.000 0.470) 0.470 25.526 ( 0.000 0.000 -4.623) 4.623======================= Grid point 111 (38/108) =======================q-point: ( 0.09 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.839 ( 16.958 0.000 31.300) 35.599 1.932 ( -5.063 0.000 38.281) 38.615 2.935 ( 4.228 0.000 6.619) 7.855 3.110 ( -0.692 0.000 11.479) 11.499 3.294 ( 19.894 0.000 24.469) 31.535 3.790 ( 9.612 0.000 1.285) 9.698 3.847 ( -5.286 0.000 12.850) 13.895 4.602 ( -5.775 0.000 10.895) 12.331 4.809 ( -9.951 0.000 -10.170) 14.228 5.241 ( 8.801 0.000 -1.276) 8.893 5.643 ( 12.728 0.000 11.804) 17.359 5.859 ( -10.310 0.000 2.884) 10.706 6.284 ( 21.020 0.000 11.377) 23.901 6.757 ( 14.888 0.000 7.732) 16.775 7.108 ( 5.887 0.000 -10.426) 11.973 7.111 ( -18.355 0.000 3.258) 18.642 7.876 ( 3.502 0.000 -10.241) 10.824 8.250 ( -4.381 0.000 -5.020) 6.663 8.382 ( 0.612 0.000 -3.336) 3.392 8.603 ( 3.341 0.000 2.216) 4.009 9.109 ( 3.456 0.000 23.122) 23.379 9.866 ( -3.084 0.000 1.437) 3.402 10.039 ( 10.695 0.000 -4.524) 11.613 10.158 ( 0.892 0.000 -1.506) 1.750 10.226 ( 0.539 0.000 10.623) 10.636 10.342 ( -19.224 0.000 3.488) 19.538 10.678 ( -9.756 0.000 14.439) 17.427 11.068 ( 9.489 0.000 -0.111) 9.490 11.173 ( -5.434 0.000 -10.105) 11.474 11.392 ( 12.314 0.000 10.590) 16.241 11.836 ( -18.485 0.000 0.397) 18.489 12.053 ( -14.748 0.000 -6.652) 16.179 12.074 ( -6.152 0.000 -19.102) 20.069 12.546 ( 3.413 0.000 5.812) 6.740 12.712 ( -4.900 0.000 -4.809) 6.866 12.721 ( -4.157 0.000 -4.868) 6.401 12.806 ( 2.427 0.000 -11.600) 11.851 12.813 ( 0.633 0.000 1.322) 1.466 13.163 ( 7.914 0.000 -6.324) 10.130 13.210 ( 14.849 0.000 -7.894) 16.816 13.408 ( 5.878 0.000 -6.815) 9.000 13.687 ( 3.604 0.000 13.228) 13.711 13.783 ( 0.082 0.000 4.148) 4.149 14.032 ( -0.178 0.000 4.001) 4.005 14.271 ( 0.340 0.000 -1.160) 1.209 14.340 ( -7.616 0.000 6.612) 10.086 14.717 ( -2.180 0.000 1.423) 2.604 14.899 ( 14.248 0.000 -15.887) 21.340 15.034 ( -0.816 0.000 -2.905) 3.017 15.351 ( -10.195 0.000 -1.720) 10.340 15.686 ( 1.280 0.000 -9.034) 9.124 15.719 ( 2.567 0.000 0.734) 2.670 15.761 ( 3.808 0.000 -9.617) 10.343 16.119 ( -4.085 0.000 0.320) 4.098 16.506 ( -0.746 0.000 9.086) 9.116 16.602 ( 1.677 0.000 18.631) 18.706 17.038 ( -18.313 0.000 4.322) 18.816 17.357 ( -17.482 0.000 -8.776) 19.561 17.602 ( -2.923 0.000 -5.513) 6.240 18.260 ( 8.505 0.000 -8.542) 12.054 18.439 ( 0.270 0.000 -4.157) 4.166 18.572 ( 5.526 0.000 -7.532) 9.342 18.696 ( 10.512 0.000 -7.880) 13.138 18.893 ( -0.853 0.000 6.462) 6.518 21.962 ( -20.165 0.000 8.276) 21.797 22.342 ( -5.465 0.000 14.373) 15.377 23.279 ( -17.318 0.000 1.207) 17.360 24.625 ( 0.874 0.000 -10.081) 10.119 24.753 ( -4.039 0.000 -6.914) 8.008 24.889 ( 19.410 0.000 -3.340) 19.695 25.134 ( 8.997 0.000 -0.111) 8.998 25.525 ( -0.166 0.000 -3.495) 3.499======================= Grid point 112 (39/108) =======================q-point: ( 0.18 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( 13.913 0.000 14.367) 20.000 2.246 ( 20.881 0.000 23.996) 31.809 3.041 ( 0.431 0.000 3.469) 3.496 3.074 ( 9.558 0.000 -0.483) 9.570 3.735 ( -4.564 0.000 7.627) 8.888 3.850 ( 22.045 0.000 18.647) 28.874 3.960 ( 8.805 0.000 4.170) 9.743 4.519 ( 0.263 0.000 17.582) 17.584 4.601 ( -10.313 0.000 -10.597) 14.787 5.378 ( 4.135 0.000 0.169) 4.139 5.640 ( -11.240 0.000 -0.905) 11.276 5.711 ( -3.250 0.000 3.480) 4.762 6.668 ( -3.346 0.000 24.820) 25.044 6.963 ( 20.680 0.000 -9.621) 22.808 7.053 ( 13.155 0.000 -1.655) 13.259 7.292 ( 11.646 0.000 -10.655) 15.785 7.979 ( 6.477 0.000 -11.715) 13.386 8.109 ( -7.710 0.000 1.721) 7.899 8.430 ( 4.635 0.000 1.199) 4.787 8.700 ( 5.314 0.000 -1.574) 5.542 9.184 ( 3.426 0.000 20.805) 21.086 9.746 ( -8.795 0.000 1.848) 8.987 9.949 ( -18.966 0.000 5.522) 19.754 10.142 ( -5.722 0.000 3.276) 6.593 10.183 ( -2.674 0.000 6.030) 6.597 10.275 ( 11.295 0.000 -7.934) 13.804 10.537 ( -3.511 0.000 11.798) 12.310 11.056 ( -5.081 0.000 -5.127) 7.219 11.190 ( 1.548 0.000 0.531) 1.637 11.513 ( -12.860 0.000 -3.716) 13.386 11.611 ( 5.033 0.000 11.567) 12.615 11.840 ( -4.695 0.000 -4.972) 6.839 11.951 ( -2.056 0.000 -18.879) 18.991 12.468 ( -11.933 0.000 4.517) 12.760 12.616 ( -2.287 0.000 -3.205) 3.937 12.698 ( 1.884 0.000 -7.475) 7.709 12.813 ( -3.247 0.000 2.363) 4.015 12.882 ( 5.485 0.000 -11.341) 12.598 13.008 ( -11.178 0.000 -6.007) 12.690 13.498 ( 13.402 0.000 -8.279) 15.752 13.628 ( 3.505 0.000 -2.854) 4.520 13.822 ( 4.549 0.000 1.654) 4.841 13.907 ( 12.239 0.000 4.437) 13.018 13.988 ( 1.059 0.000 -1.204) 1.604 14.233 ( -1.806 0.000 17.611) 17.703 14.274 ( -0.186 0.000 -3.396) 3.401 14.671 ( -2.274 0.000 -3.820) 4.446 14.948 ( -10.396 0.000 7.716) 12.947 15.019 ( -0.193 0.000 -7.140) 7.142 15.355 ( 7.422 0.000 -9.812) 12.303 15.712 ( 1.591 0.000 -4.542) 4.813 15.729 ( 1.775 0.000 -6.089) 6.343 15.836 ( 3.119 0.000 -9.019) 9.543 16.109 ( 4.878 0.000 -10.918) 11.958 16.457 ( -3.650 0.000 5.871) 6.913 16.624 ( -3.190 0.000 4.267) 5.328 16.881 ( -1.116 0.000 1.730) 2.058 16.948 ( -17.911 0.000 -9.711) 20.374 17.507 ( -5.975 0.000 -7.526) 9.610 18.123 ( -14.681 0.000 -15.687) 21.485 18.490 ( 4.019 0.000 2.122) 4.544 18.591 ( -6.020 0.000 5.606) 8.226 18.914 ( 0.841 0.000 6.611) 6.665 18.922 ( 11.569 0.000 -3.587) 12.112 21.465 ( -27.983 0.000 14.802) 31.657 22.088 ( -18.399 0.000 16.164) 24.490 23.126 ( 0.689 0.000 -13.106) 13.124 24.550 ( -6.745 0.000 -10.850) 12.776 24.775 ( 5.818 0.000 -7.495) 9.488 25.175 ( 7.353 0.000 -4.002) 8.372 25.287 ( 5.991 0.000 0.542) 6.015 25.512 ( -1.326 0.000 -1.427) 1.948======================= Grid point 113 (40/108) =======================q-point: ( 0.27 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.431 ( 24.372 0.000 -6.757) 25.292 2.617 ( 14.729 0.000 13.210) 19.785 3.123 ( 6.639 0.000 6.149) 9.049 3.318 ( 13.789 0.000 -3.763) 14.293 3.689 ( -0.151 0.000 -0.519) 0.541 3.927 ( -4.304 0.000 14.775) 15.389 4.229 ( 8.258 0.000 -5.213) 9.766 4.426 ( -5.195 0.000 -5.315) 7.432 4.698 ( 15.201 0.000 17.370) 23.082 5.356 ( -11.269 0.000 3.485) 11.796 5.428 ( -5.196 0.000 -5.945) 7.895 5.562 ( -10.784 0.000 -11.269) 15.598 6.641 ( 6.892 0.000 30.811) 31.572 7.298 ( 11.394 0.000 -6.816) 13.277 7.429 ( 19.128 0.000 -3.339) 19.418 7.526 ( 10.138 0.000 -12.415) 16.028 7.968 ( -5.573 0.000 9.845) 11.313 8.135 ( 7.993 0.000 -13.588) 15.765 8.580 ( 9.911 0.000 3.530) 10.521 8.822 ( 7.044 0.000 -2.156) 7.367 9.232 ( 0.864 0.000 17.483) 17.504 9.563 ( -6.876 0.000 4.159) 8.036 9.573 ( -17.868 0.000 5.196) 18.608 9.938 ( -12.110 0.000 9.389) 15.323 10.123 ( -4.597 0.000 2.423) 5.196 10.468 ( -5.560 0.000 5.467) 7.797 10.469 ( 7.481 0.000 -8.861) 11.597 10.999 ( -0.026 0.000 5.263) 5.263 11.105 ( -8.734 0.000 -2.619) 9.118 11.365 ( -1.395 0.000 -5.164) 5.349 11.540 ( -7.558 0.000 -1.427) 7.691 11.854 ( 4.719 0.000 2.998) 5.591 12.053 ( 8.325 0.000 -6.689) 10.679 12.197 ( -13.209 0.000 1.101) 13.255 12.541 ( -5.672 0.000 -0.529) 5.697 12.639 ( -12.005 0.000 0.816) 12.032 12.710 ( -1.572 0.000 -7.129) 7.301 12.815 ( -9.283 0.000 1.751) 9.446 13.046 ( 10.407 0.000 -17.288) 20.179 13.707 ( 5.110 0.000 -3.612) 6.258 13.758 ( 12.203 0.000 -6.959) 14.048 13.814 ( -6.972 0.000 -1.159) 7.067 13.993 ( 12.207 0.000 -2.158) 12.396 14.153 ( 2.442 0.000 10.737) 11.011 14.266 ( -0.232 0.000 -7.654) 7.658 14.340 ( 10.155 0.000 3.767) 10.831 14.618 ( -3.189 0.000 -12.617) 13.014 14.713 ( -11.012 0.000 6.287) 12.680 15.039 ( 2.049 0.000 -9.826) 10.037 15.362 ( -1.730 0.000 9.719) 9.872 15.664 ( -11.381 0.000 -3.795) 11.998 15.852 ( -3.642 0.000 -8.181) 8.955 15.954 ( 16.890 0.000 -19.646) 25.908 16.258 ( 8.368 0.000 -13.434) 15.827 16.342 ( -13.479 0.000 -33.701) 36.296 16.415 ( 0.723 0.000 3.669) 3.740 16.848 ( 2.015 0.000 15.388) 15.520 16.892 ( 1.182 0.000 -2.407) 2.682 17.364 ( -8.281 0.000 -9.093) 12.299 17.762 ( -19.823 0.000 -24.208) 31.289 18.433 ( -7.698 0.000 12.991) 15.101 18.587 ( 5.551 0.000 7.156) 9.056 18.867 ( -5.198 0.000 6.552) 8.364 19.154 ( 10.711 0.000 -3.051) 11.137 20.878 ( -28.026 0.000 24.623) 37.306 21.648 ( -23.864 0.000 16.397) 28.954 23.216 ( 6.613 0.000 -19.254) 20.358 24.361 ( -11.746 0.000 -12.058) 16.833 24.950 ( 10.314 0.000 -6.942) 12.433 25.232 ( -0.188 0.000 -2.759) 2.766 25.382 ( 3.527 0.000 -0.501) 3.562 25.466 ( -3.218 0.000 -0.358) 3.238======================= Grid point 114 (41/108) =======================q-point: ( 0.36 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.858 ( 10.205 0.000 0.110) 10.205 2.964 ( 27.201 0.000 -16.843) 31.993 3.277 ( 8.038 0.000 9.116) 12.154 3.486 ( -3.219 0.000 -2.270) 3.939 3.787 ( 14.169 0.000 -9.642) 17.139 3.794 ( -7.928 0.000 15.285) 17.219 4.273 ( -4.667 0.000 -7.336) 8.695 4.468 ( 9.705 0.000 4.023) 10.506 4.987 ( 11.613 0.000 3.483) 12.124 5.028 ( -18.991 0.000 0.389) 18.995 5.309 ( -8.558 0.000 -1.398) 8.671 5.336 ( -9.282 0.000 -18.714) 20.889 6.932 ( 19.376 0.000 33.537) 38.732 7.514 ( 9.542 0.000 -8.505) 12.783 7.680 ( 4.901 0.000 -12.554) 13.477 7.726 ( 10.655 0.000 -5.324) 11.911 7.861 ( -4.980 0.000 21.048) 21.629 8.275 ( 4.238 0.000 -13.317) 13.975 8.809 ( 11.731 0.000 3.683) 12.296 8.973 ( 6.679 0.000 0.839) 6.731 9.218 ( -1.461 0.000 11.361) 11.454 9.253 ( -12.111 0.000 1.744) 12.236 9.530 ( 3.580 0.000 6.687) 7.585 9.705 ( -9.467 0.000 10.172) 13.896 9.981 ( -9.329 0.000 3.212) 9.867 10.274 ( -12.993 0.000 3.476) 13.450 10.578 ( 3.614 0.000 -8.172) 8.936 10.910 ( -9.557 0.000 -4.791) 10.691 11.053 ( 4.792 0.000 10.761) 11.780 11.399 ( -6.082 0.000 -0.133) 6.083 11.420 ( 6.116 0.000 -5.136) 7.987 11.945 ( -6.380 0.000 -7.096) 9.543 11.998 ( 3.688 0.000 16.902) 17.299 12.215 ( 7.380 0.000 -5.139) 8.993 12.392 ( -8.281 0.000 -5.641) 10.019 12.398 ( -10.894 0.000 3.062) 11.316 12.604 ( -10.963 0.000 12.396) 16.548 12.634 ( -5.570 0.000 -5.365) 7.733 13.304 ( 15.412 0.000 -26.245) 30.436 13.702 ( -3.397 0.000 -2.399) 4.158 13.785 ( 0.581 0.000 -3.849) 3.893 13.994 ( 11.063 0.000 -4.023) 11.771 14.206 ( 3.161 0.000 8.420) 8.994 14.235 ( 2.871 0.000 -7.682) 8.201 14.299 ( 9.402 0.000 -10.363) 13.992 14.506 ( -3.959 0.000 4.953) 6.341 14.543 ( -3.476 0.000 -22.436) 22.704 14.548 ( 7.377 0.000 -3.192) 8.038 15.067 ( -2.583 0.000 -17.042) 17.237 15.272 ( -20.294 0.000 -6.125) 21.198 15.351 ( -1.521 0.000 7.766) 7.914 15.648 ( -13.788 0.000 -13.511) 19.305 16.265 ( 12.708 0.000 -17.565) 21.680 16.311 ( 7.314 0.000 -24.233) 25.313 16.419 ( 7.045 0.000 -11.184) 13.218 16.501 ( 6.390 0.000 4.091) 7.587 16.877 ( 0.023 0.000 13.236) 13.236 16.912 ( 0.854 0.000 -8.348) 8.391 17.165 ( -11.292 0.000 -11.497) 16.115 17.365 ( -17.902 0.000 -30.560) 35.417 18.326 ( -2.137 0.000 12.407) 12.589 18.719 ( -8.979 0.000 7.221) 11.522 18.731 ( 9.080 0.000 11.007) 14.269 19.312 ( 2.932 0.000 -5.546) 6.273 20.419 ( -14.343 0.000 33.005) 35.987 21.151 ( -24.313 0.000 17.983) 30.240 23.367 ( 8.193 0.000 -17.461) 19.288 24.090 ( -14.360 0.000 -12.108) 18.783 25.159 ( 9.632 0.000 -6.453) 11.594 25.217 ( -0.463 0.000 -2.862) 2.899 25.385 ( -4.543 0.000 -0.797) 4.612 25.430 ( 0.986 0.000 -2.660) 2.836======================= Grid point 115 (42/108) =======================q-point: ( 0.45 0.00 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.069 ( 10.945 0.000 -7.450) 13.240 3.302 ( -11.573 0.000 -9.415) 14.919 3.428 ( 9.635 0.000 7.779) 12.383 3.502 ( 17.146 0.000 -10.434) 20.071 3.647 ( -1.065 0.000 9.493) 9.552 4.018 ( -19.416 0.000 -14.055) 23.969 4.168 ( 21.084 0.000 -1.749) 21.156 4.609 ( -21.723 0.000 0.273) 21.724 4.753 ( 16.345 0.000 4.565) 16.970 5.074 ( -14.272 0.000 1.719) 14.376 5.156 ( 5.182 0.000 -5.913) 7.863 5.224 ( -2.795 0.000 -13.783) 14.063 7.335 ( 18.689 0.000 28.732) 34.275 7.653 ( -12.170 0.000 20.951) 24.229 7.670 ( 5.403 0.000 -9.626) 11.039 7.727 ( -0.227 0.000 -11.035) 11.037 7.995 ( 12.548 0.000 -0.418) 12.555 8.233 ( -8.754 0.000 -6.500) 10.903 9.025 ( 9.127 0.000 4.523) 10.186 9.060 ( 3.264 0.000 2.274) 3.978 9.126 ( -2.628 0.000 -3.586) 4.446 9.167 ( -4.553 0.000 7.083) 8.420 9.617 ( 1.956 0.000 9.437) 9.637 9.686 ( 9.822 0.000 1.652) 9.960 9.772 ( -8.654 0.000 8.811) 12.350 9.978 ( -15.102 0.000 4.937) 15.888 10.641 ( 3.374 0.000 -6.803) 7.593 10.741 ( -6.701 0.000 -5.853) 8.898 11.167 ( 5.947 0.000 9.587) 11.282 11.284 ( -5.524 0.000 5.352) 7.691 11.586 ( 9.420 0.000 -4.628) 10.496 11.772 ( -8.572 0.000 -5.175) 10.013 12.132 ( 5.471 0.000 12.374) 13.529 12.220 ( -5.946 0.000 1.520) 6.137 12.273 ( -0.757 0.000 1.490) 1.672 12.358 ( 6.927 0.000 -5.422) 8.797 12.392 ( -9.468 0.000 16.576) 19.089 12.501 ( -7.100 0.000 -5.338) 8.883 13.677 ( 20.657 0.000 -31.607) 37.759 13.680 ( 1.254 0.000 -3.669) 3.878 13.738 ( -3.742 0.000 -1.791) 4.149 14.064 ( -13.709 0.000 -22.522) 26.366 14.245 ( 9.552 0.000 -2.959) 10.000 14.274 ( 3.806 0.000 4.575) 5.951 14.371 ( -5.841 0.000 4.185) 7.185 14.425 ( -4.175 0.000 -17.008) 17.513 14.572 ( 7.749 0.000 -12.270) 14.512 14.765 ( -14.321 0.000 -14.665) 20.498 14.864 ( 18.700 0.000 -4.410) 19.213 15.201 ( 4.831 0.000 -11.918) 12.860 15.210 ( -13.096 0.000 1.280) 13.158 15.374 ( -11.919 0.000 -15.121) 19.254 16.457 ( 6.280 0.000 -14.077) 15.414 16.514 ( 1.203 0.000 -9.873) 9.946 16.518 ( 10.996 0.000 -14.621) 18.295 16.617 ( 3.106 0.000 3.238) 4.487 16.851 ( -1.692 0.000 6.717) 6.927 16.926 ( -10.577 0.000 -11.153) 15.371 16.946 ( 3.348 0.000 -17.399) 17.718 17.078 ( -10.038 0.000 -27.258) 29.047 18.361 ( 5.459 0.000 9.386) 10.858 18.523 ( -9.648 0.000 7.584) 12.272 18.959 ( 12.948 0.000 9.785) 16.230 19.219 ( -10.979 0.000 1.410) 11.069 20.372 ( 8.900 0.000 29.116) 30.446 20.689 ( -20.377 0.000 21.755) 29.808 23.556 ( 10.594 0.000 -13.875) 17.456 23.801 ( -13.468 0.000 -12.101) 18.105 25.231 ( 1.968 0.000 -2.986) 3.576 25.294 ( -4.073 0.000 -2.101) 4.583 25.325 ( 6.455 0.000 -5.896) 8.742 25.416 ( -2.495 0.000 -4.695) 5.317======================= Grid point 121 (43/108) =======================q-point: ( 0.00 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.860 ( 0.000 14.446 29.687) 33.015 2.124 ( 0.000 3.371 35.739) 35.898 2.776 ( 0.000 -6.283 14.917) 16.186 3.019 ( 0.000 3.550 32.460) 32.653 3.298 ( 0.000 -2.687 18.948) 19.138 3.565 ( 0.000 10.582 -10.345) 14.799 4.210 ( 0.000 15.120 5.042) 15.938 4.743 ( 0.000 0.424 3.390) 3.417 4.926 ( 0.000 -12.919 -0.014) 12.919 5.048 ( 0.000 11.222 1.390) 11.308 5.130 ( 0.000 -20.129 27.187) 33.828 5.834 ( 0.000 -14.480 7.916) 16.503 6.147 ( 0.000 4.069 9.608) 10.434 6.430 ( 0.000 -9.111 11.208) 14.445 7.173 ( 0.000 10.441 -10.611) 14.886 7.382 ( 0.000 5.446 10.212) 11.573 7.746 ( 0.000 -8.842 -10.482) 13.713 8.059 ( 0.000 -16.531 -0.910) 16.556 8.369 ( 0.000 5.002 -1.595) 5.250 8.884 ( 0.000 19.548 -3.594) 19.875 8.935 ( 0.000 -12.105 14.300) 18.736 9.717 ( 0.000 -14.476 -1.919) 14.602 10.047 ( 0.000 11.231 6.678) 13.067 10.210 ( 0.000 6.462 2.760) 7.027 10.235 ( 0.000 0.855 7.404) 7.453 10.704 ( 0.000 7.574 -0.879) 7.624 10.826 ( 0.000 -6.803 10.384) 12.414 10.990 ( 0.000 10.923 10.690) 15.284 11.111 ( 0.000 -9.987 -9.189) 13.571 11.257 ( 0.000 0.708 5.027) 5.076 12.062 ( 0.000 -3.990 -14.428) 14.970 12.144 ( 0.000 -1.206 -4.002) 4.180 12.343 ( 0.000 -5.622 3.533) 6.640 12.432 ( 0.000 7.780 -11.280) 13.702 12.529 ( 0.000 -12.902 -2.288) 13.103 12.539 ( 0.000 2.802 3.471) 4.461 12.873 ( 0.000 -1.933 -10.493) 10.670 12.913 ( 0.000 -0.431 5.736) 5.752 13.063 ( 0.000 5.631 -15.468) 16.461 13.100 ( 0.000 7.645 -6.911) 10.306 13.503 ( 0.000 3.262 -3.882) 5.071 13.708 ( 0.000 8.316 10.597) 13.470 13.917 ( 0.000 0.491 -7.090) 7.107 13.980 ( 0.000 4.736 11.748) 12.666 14.181 ( 0.000 -7.354 1.441) 7.494 14.454 ( 0.000 -3.481 4.686) 5.838 14.611 ( 0.000 -7.222 3.701) 8.115 14.613 ( 0.000 -4.037 -10.684) 11.421 15.157 ( 0.000 8.060 -5.502) 9.759 15.475 ( 0.000 -3.774 -6.125) 7.195 15.560 ( 0.000 -3.539 -4.354) 5.610 15.623 ( 0.000 -5.219 -10.119) 11.385 15.859 ( 0.000 9.319 2.088) 9.550 16.168 ( 0.000 -0.651 3.431) 3.492 16.474 ( 0.000 -2.050 11.162) 11.349 16.550 ( 0.000 -3.002 18.475) 18.717 17.533 ( 0.000 -1.927 -6.387) 6.671 17.552 ( 0.000 -1.800 1.442) 2.307 17.626 ( 0.000 -1.514 -3.922) 4.204 17.700 ( 0.000 -4.459 8.371) 9.485 18.219 ( 0.000 -2.298 -10.625) 10.871 18.439 ( 0.000 -4.264 -13.006) 13.687 18.948 ( 0.000 11.491 -5.548) 12.760 18.970 ( 0.000 4.446 -0.580) 4.483 22.245 ( 0.000 1.308 6.855) 6.979 22.317 ( 0.000 -1.395 12.066) 12.146 23.693 ( 0.000 5.316 5.962) 7.988 24.165 ( 0.000 -15.125 1.815) 15.233 24.750 ( 0.000 2.645 -3.781) 4.614 24.863 ( 0.000 -1.477 -6.948) 7.104 25.157 ( 0.000 11.022 -5.441) 12.292 25.484 ( 0.000 -3.789 -4.973) 6.252======================= Grid point 122 (44/108) =======================q-point: ( 0.09 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.982 ( 4.698 7.976 27.908) 29.403 2.091 ( 6.753 13.447 31.448) 34.863 2.765 ( 5.218 -8.275 13.342) 16.544 2.993 ( -8.514 -12.603 12.960) 19.982 3.477 ( 20.158 12.591 19.813) 30.942 3.779 ( 13.448 9.276 -0.173) 16.338 4.089 ( -6.395 10.812 6.847) 14.306 4.666 ( -3.977 0.757 5.964) 7.208 4.827 ( -12.053 3.851 -0.281) 12.657 5.135 ( 9.385 -8.131 5.983) 13.784 5.330 ( 9.601 -19.813 11.740) 24.951 5.771 ( -5.772 -9.346 4.778) 11.979 6.364 ( 22.917 1.387 3.464) 23.219 6.598 ( 10.686 -7.962 9.137) 16.157 7.076 ( -9.995 6.992 8.699) 14.982 7.316 ( 0.906 9.217 -7.239) 11.755 7.786 ( 3.642 -9.508 -9.652) 14.029 8.094 ( -0.203 -8.408 -4.598) 9.585 8.397 ( 4.727 0.666 2.911) 5.591 8.824 ( -4.068 14.686 1.948) 15.363 9.056 ( 8.455 -4.348 9.428) 13.389 9.670 ( -4.628 -14.743 -1.670) 15.543 10.029 ( -0.046 3.059 6.509) 7.192 10.172 ( -2.622 1.177 2.348) 3.711 10.246 ( -2.264 1.981 5.478) 6.250 10.533 ( -9.834 10.277 2.573) 14.455 10.788 ( -9.421 6.653 7.563) 13.792 11.030 ( 1.022 -6.814 1.559) 7.065 11.085 ( 4.270 -2.317 -5.693) 7.484 11.397 ( 8.693 -0.039 8.982) 12.500 11.914 ( -11.566 5.263 -4.239) 13.396 12.083 ( 0.161 3.914 -12.347) 12.953 12.166 ( -17.616 6.198 -10.440) 21.395 12.449 ( -1.306 -12.858 -9.263) 15.901 12.532 ( 1.663 -1.170 8.229) 8.476 12.677 ( -0.584 -3.266 -0.144) 3.320 12.781 ( 6.768 -4.112 1.126) 7.999 12.984 ( 7.938 -1.860 -3.253) 8.778 13.020 ( 0.858 7.072 -12.068) 14.014 13.312 ( -13.769 -0.137 -8.230) 16.042 13.474 ( 19.202 5.503 -10.311) 22.480 13.710 ( -1.002 3.710 9.213) 9.982 13.947 ( 3.230 0.766 -2.373) 4.081 14.014 ( 2.687 8.290 11.727) 14.610 14.183 ( -0.162 -6.329 1.635) 6.539 14.370 ( -5.848 0.714 8.328) 10.201 14.564 ( -1.016 -9.146 0.324) 9.208 14.774 ( 7.686 -7.288 -3.118) 11.041 15.181 ( 3.207 8.550 -11.369) 14.582 15.368 ( -7.743 1.335 -2.995) 8.409 15.614 ( 3.956 -4.978 -8.666) 10.748 15.656 ( 1.857 -4.283 -9.131) 10.255 15.858 ( 1.734 3.421 -1.163) 4.007 16.096 ( -7.935 0.112 2.788) 8.411 16.484 ( 0.628 -1.261 10.094) 10.192 16.594 ( 4.013 -1.426 16.429) 16.972 17.049 ( -17.135 0.675 3.537) 17.509 17.351 ( -14.550 -0.108 -5.060) 15.405 17.603 ( -3.290 0.095 -6.664) 7.432 18.023 ( -6.446 -15.850 -6.307) 18.236 18.346 ( 21.274 2.923 -6.496) 22.435 18.631 ( 12.533 -1.782 -7.817) 14.878 18.803 ( -9.457 4.077 -0.165) 10.300 19.013 ( 0.225 7.732 -0.463) 7.750 21.978 ( -18.353 1.112 8.268) 20.160 22.342 ( -6.002 0.048 14.734) 15.910 23.314 ( -17.539 2.516 -0.440) 17.724 24.414 ( 3.747 -10.057 -5.530) 12.073 24.823 ( 14.062 -3.668 -2.083) 14.681 24.933 ( 1.755 8.328 -6.002) 10.415 25.195 ( 4.196 2.852 -4.800) 6.985 25.504 ( 1.534 -1.573 -3.373) 4.025======================= Grid point 123 (45/108) =======================q-point: ( 0.18 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.085 ( 11.335 4.765 13.018) 17.906 2.410 ( 16.710 11.686 23.189) 30.879 2.901 ( 6.005 -8.377 5.587) 11.724 3.015 ( 13.694 -5.794 10.265) 18.069 3.631 ( -2.718 -1.551 2.577) 4.054 4.076 ( 2.731 8.822 7.686) 12.015 4.165 ( 20.183 17.137 3.346) 26.688 4.532 ( -13.354 -4.613 -4.134) 14.721 4.622 ( -0.108 8.352 14.257) 16.524 5.297 ( 4.079 -6.006 3.340) 7.992 5.417 ( 1.046 -17.579 2.067) 17.731 5.639 ( -7.423 -5.877 -0.665) 9.492 6.584 ( -6.437 -9.683 18.733) 22.048 6.907 ( 21.079 -1.365 -1.097) 21.151 7.122 ( 16.797 10.198 1.379) 19.699 7.413 ( 7.097 6.790 -12.263) 15.712 7.871 ( 3.715 -12.147 -3.240) 13.109 8.082 ( 1.472 2.894 -6.887) 7.614 8.525 ( 6.503 0.393 2.468) 6.967 8.760 ( -1.341 9.217 3.504) 9.952 9.196 ( 4.276 -1.387 12.135) 12.940 9.537 ( -7.903 -11.071 -0.267) 13.605 9.999 ( -8.230 -0.305 7.578) 11.192 10.131 ( -0.597 -3.053 4.615) 5.565 10.158 ( -2.622 0.133 -2.900) 3.912 10.298 ( -11.512 4.864 5.648) 13.715 10.686 ( -1.787 8.330 2.137) 8.784 10.951 ( -3.569 -5.588 -4.344) 7.927 11.207 ( 2.857 0.550 0.009) 2.909 11.496 ( 0.030 -4.076 6.829) 7.953 11.695 ( -9.364 9.891 -1.631) 13.718 11.861 ( -10.837 1.998 -7.554) 13.360 12.150 ( 5.322 12.173 -6.718) 14.887 12.327 ( -8.036 -11.066 -7.619) 15.655 12.518 ( -4.391 -2.722 6.888) 8.610 12.663 ( 0.553 -3.300 -0.951) 3.479 12.877 ( -0.857 4.169 -8.503) 9.509 12.940 ( -5.170 1.657 -6.828) 8.723 13.069 ( -2.894 5.753 -10.644) 12.440 13.354 ( 16.686 -9.931 -6.511) 20.481 13.680 ( 2.107 3.399 1.754) 4.367 13.751 ( 6.671 -1.221 -4.641) 8.218 13.997 ( 0.441 -0.435 4.660) 4.701 14.099 ( 4.479 7.862 1.159) 9.122 14.223 ( 5.609 -0.604 5.880) 8.149 14.256 ( -5.206 -1.045 9.947) 11.276 14.554 ( 0.495 -6.948 -0.826) 7.014 14.818 ( -3.151 -5.780 5.424) 8.530 15.152 ( -6.985 7.107 -5.229) 11.254 15.389 ( 9.692 2.777 -15.345) 18.361 15.629 ( -4.085 -4.271 -7.529) 9.571 15.708 ( 4.252 -1.913 -7.572) 8.893 15.940 ( 4.272 -10.439 -8.033) 13.847 15.993 ( 3.572 8.745 -2.340) 9.732 16.467 ( -3.427 0.732 6.063) 7.003 16.684 ( 4.319 -2.299 15.030) 15.807 16.860 ( -8.853 2.049 -5.350) 10.545 17.013 ( -13.463 6.804 -13.009) 19.919 17.471 ( -8.229 -4.173 -12.081) 15.201 17.872 ( -8.918 -14.421 -7.467) 18.527 18.567 ( -9.777 1.175 8.826) 13.224 18.615 ( 5.189 3.992 -1.560) 6.730 18.902 ( 12.195 -1.638 -3.096) 12.688 18.978 ( -3.629 3.654 2.434) 5.696 21.539 ( -24.557 5.628 13.059) 28.377 22.047 ( -21.484 -3.294 18.108) 28.290 23.151 ( 0.081 1.782 -14.280) 14.391 24.419 ( -0.998 -6.872 -10.539) 12.621 24.921 ( -0.492 7.619 -4.115) 8.673 25.097 ( 9.149 -2.812 -2.872) 9.993 25.291 ( 3.958 -2.252 -2.917) 5.409 25.528 ( 0.662 1.353 -1.220) 1.939======================= Grid point 124 (46/108) =======================q-point: ( 0.27 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.443 ( 22.510 1.598 -5.080) 23.132 2.667 ( 9.705 2.195 10.235) 14.275 3.151 ( 15.590 3.156 9.389) 18.471 3.327 ( 13.667 0.339 0.207) 13.672 3.607 ( 3.820 -4.760 4.349) 7.494 4.002 ( -11.229 4.642 8.506) 14.832 4.322 ( 1.831 3.531 -2.176) 4.534 4.385 ( -4.284 -0.208 -6.235) 7.568 4.822 ( 16.642 10.947 11.021) 22.766 5.265 ( -8.505 -6.918 2.373) 11.217 5.355 ( -7.375 -5.309 -5.861) 10.814 5.495 ( -5.230 -7.062 -12.253) 15.079 6.585 ( 8.663 -3.465 32.884) 34.182 7.199 ( 10.834 -5.665 -6.505) 13.848 7.521 ( 14.967 6.209 -1.146) 16.244 7.575 ( 10.477 3.753 -10.508) 15.306 7.909 ( 0.291 -5.799 7.480) 9.469 8.185 ( 7.467 5.095 -13.297) 16.079 8.657 ( 6.758 3.835 2.216) 8.080 8.792 ( 4.722 -0.307 2.242) 5.236 9.195 ( -4.905 -11.370 11.028) 16.581 9.408 ( -3.259 4.118 5.121) 7.335 9.760 ( -11.515 6.140 7.121) 14.866 9.998 ( -12.635 3.422 8.862) 15.808 10.059 ( -4.439 -4.558 1.619) 6.565 10.260 ( 1.558 -7.959 -2.676) 8.540 10.650 ( -2.095 5.899 -3.622) 7.233 10.928 ( 1.561 -1.675 1.856) 2.947 11.190 ( -3.947 1.602 -3.156) 5.302 11.421 ( -5.031 4.898 2.384) 7.415 11.546 ( -6.367 2.428 0.648) 6.845 11.766 ( 1.485 -2.138 1.808) 3.169 12.069 ( -10.999 -9.778 4.045) 15.263 12.317 ( 3.386 11.954 -13.400) 18.273 12.407 ( -5.579 -5.329 4.043) 8.710 12.594 ( -7.228 -2.373 4.314) 8.745 12.678 ( -9.012 -2.626 -8.587) 12.722 12.968 ( -3.358 9.726 -6.778) 12.321 13.127 ( 9.925 5.382 -17.980) 21.231 13.532 ( 1.912 -9.537 -4.482) 10.710 13.755 ( 2.822 1.423 -10.858) 11.309 13.963 ( 14.868 4.589 1.664) 15.648 14.048 ( 6.137 2.670 1.056) 6.775 14.136 ( -1.774 -4.653 -0.696) 5.028 14.156 ( -1.982 -2.030 12.463) 12.782 14.351 ( 5.308 -0.156 -2.855) 6.029 14.580 ( 0.640 -4.308 -1.912) 4.757 14.706 ( -6.143 0.360 3.867) 7.267 15.061 ( -1.351 3.043 -9.577) 10.139 15.459 ( -0.971 6.878 -0.069) 6.947 15.638 ( 0.644 -6.451 -10.740) 12.545 15.743 ( -2.223 1.482 -7.871) 8.313 16.042 ( 4.998 -5.806 -17.797) 19.376 16.162 ( 9.615 7.071 -7.282) 13.981 16.352 ( -4.589 -5.377 -1.149) 7.162 16.553 ( -11.518 5.654 -22.241) 25.677 16.773 ( 3.539 0.383 8.412) 9.134 16.947 ( 0.225 2.156 -0.719) 2.284 17.291 ( -9.440 -7.248 -13.375) 17.903 17.638 ( -13.687 -7.414 -14.933) 21.571 18.379 ( -7.312 -2.451 14.667) 16.571 18.699 ( 4.040 6.465 3.564) 8.416 18.870 ( -6.742 0.061 4.837) 8.298 19.138 ( 10.629 -1.366 -2.147) 10.930 21.006 ( -26.734 10.375 22.001) 36.144 21.552 ( -25.622 -8.174 18.438) 32.608 23.235 ( 6.724 1.383 -20.610) 21.723 24.336 ( -7.858 -1.856 -12.685) 15.036 24.946 ( 2.483 -0.340 -1.514) 2.928 25.215 ( 3.400 -0.687 -2.830) 4.477 25.335 ( 0.732 -2.367 -2.622) 3.607 25.536 ( 0.390 3.554 -1.509) 3.881======================= Grid point 125 (47/108) =======================q-point: ( 0.36 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.827 ( 10.032 -1.070 -1.401) 10.186 2.978 ( 25.469 0.123 -15.583) 29.858 3.373 ( 5.899 6.511 8.669) 12.342 3.491 ( -1.493 0.381 -1.480) 2.136 3.706 ( 2.022 -2.388 4.189) 5.229 3.896 ( 6.496 4.821 6.234) 10.213 4.336 ( 1.457 -5.382 -2.204) 5.995 4.353 ( 0.823 2.025 0.578) 2.261 4.931 ( -20.478 -5.653 -3.963) 21.610 5.107 ( 8.461 8.795 -1.411) 12.285 5.221 ( -5.911 -6.204 -1.202) 8.653 5.407 ( -3.426 2.029 -17.315) 17.767 6.887 ( 18.616 -2.381 33.277) 38.204 7.393 ( 7.958 -6.858 -6.268) 12.233 7.680 ( 5.745 0.593 -12.512) 13.781 7.800 ( 4.118 -1.998 20.935) 21.429 7.920 ( 4.107 9.088 -5.080) 11.192 8.314 ( 3.520 3.403 -13.606) 14.461 8.789 ( 5.749 -2.579 0.484) 6.320 8.926 ( 4.696 -2.572 6.151) 8.155 9.076 ( -1.748 -9.275 4.810) 10.593 9.376 ( -1.025 8.973 5.769) 10.717 9.618 ( -1.880 5.077 7.355) 9.133 9.767 ( -8.831 3.834 9.964) 13.855 9.946 ( -6.840 -2.969 3.303) 8.155 10.172 ( -10.143 -5.934 0.849) 11.782 10.641 ( 1.661 3.915 -8.016) 9.075 10.956 ( -2.811 2.386 -4.013) 5.450 11.102 ( -0.653 3.745 7.557) 8.459 11.381 ( 0.261 -0.306 -2.713) 2.742 11.424 ( -4.132 1.922 4.065) 6.107 11.847 ( -5.539 -7.609 -2.199) 9.665 11.861 ( 1.687 -8.160 12.606) 15.111 12.259 ( -6.934 -3.020 -4.529) 8.815 12.306 ( -5.196 -4.083 4.855) 8.200 12.496 ( -9.179 -3.067 2.229) 9.932 12.542 ( 2.604 13.179 -6.323) 14.848 12.863 ( -6.218 10.672 -5.276) 13.431 13.330 ( 8.584 1.452 -22.600) 24.219 13.540 ( 0.125 -9.972 -6.024) 11.651 13.798 ( 1.597 3.207 -7.678) 8.472 14.072 ( -0.406 -11.484 -4.606) 12.380 14.163 ( 2.771 -0.746 0.506) 2.914 14.192 ( 8.173 4.250 2.777) 9.622 14.269 ( 7.593 4.629 0.707) 8.921 14.448 ( 1.774 -1.590 -12.091) 12.324 14.542 ( -0.361 0.150 7.523) 7.533 14.671 ( 4.846 1.248 -12.266) 13.248 15.089 ( 3.501 2.300 -12.401) 13.089 15.377 ( -20.939 8.363 -9.559) 24.490 15.450 ( -2.490 7.481 -3.213) 8.514 15.629 ( -10.026 -0.506 -10.661) 14.643 16.118 ( 4.083 -11.466 -21.946) 25.096 16.291 ( 2.646 1.798 -18.281) 18.558 16.425 ( 8.834 -6.000 -0.309) 10.683 16.521 ( 6.749 2.804 -9.976) 12.366 16.827 ( 1.823 -1.342 4.372) 4.923 16.925 ( -3.110 -0.893 -3.556) 4.808 17.100 ( -8.565 -4.321 -11.967) 15.338 17.353 ( -13.432 -0.735 -20.386) 24.425 18.294 ( -0.517 -1.723 12.089) 12.222 18.715 ( -8.315 -0.345 6.306) 10.441 18.815 ( 7.696 5.715 8.690) 12.938 19.297 ( 3.581 -1.322 -5.317) 6.545 20.533 ( -17.214 9.528 31.034) 36.746 21.047 ( -23.335 -8.815 19.684) 31.775 23.396 ( 8.914 2.101 -19.448) 21.496 24.118 ( -12.770 1.918 -13.461) 18.653 24.992 ( 2.026 -7.088 0.995) 7.439 25.220 ( -3.218 -6.027 0.921) 6.894 25.381 ( 4.547 4.864 -7.480) 10.014 25.546 ( 0.335 4.610 -4.118) 6.191======================= Grid point 126 (48/108) =======================q-point: ( 0.45 0.25 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.027 ( 10.511 -2.424 -7.137) 12.934 3.256 ( -10.844 -2.461 -9.606) 14.695 3.469 ( 11.359 1.277 -2.107) 11.624 3.508 ( 7.069 0.556 1.257) 7.202 3.757 ( 6.801 7.454 6.368) 11.932 4.068 ( -5.826 4.873 -6.949) 10.294 4.189 ( 3.711 2.583 -5.087) 6.806 4.510 ( -18.718 -6.573 2.370) 19.980 4.625 ( 17.012 -9.325 3.638) 19.738 4.962 ( -14.498 -7.013 0.360) 16.109 5.295 ( 5.095 8.511 -8.241) 12.896 5.359 ( -1.881 7.826 -14.843) 16.885 7.252 ( 15.625 -5.007 24.479) 29.469 7.461 ( -3.399 -8.032 6.194) 10.698 7.766 ( 2.217 2.132 -6.377) 7.080 7.785 ( -1.072 1.805 11.407) 11.598 8.086 ( 9.918 7.447 -5.783) 13.685 8.278 ( -7.138 3.409 -8.709) 11.766 8.873 ( 2.453 -8.719 0.391) 9.066 8.905 ( -1.401 -6.933 5.841) 9.173 9.209 ( 8.278 3.641 2.155) 9.296 9.334 ( -3.931 7.213 4.406) 9.321 9.675 ( 6.949 -0.434 3.540) 7.811 9.685 ( 1.152 4.256 8.133) 9.251 9.797 ( -6.559 1.440 8.048) 10.482 9.916 ( -13.267 -3.939 3.729) 14.333 10.702 ( 4.219 4.934 -7.762) 10.119 10.820 ( -7.348 5.875 -7.150) 11.816 11.177 ( 5.358 1.494 10.282) 11.690 11.290 ( -5.683 1.314 4.808) 7.559 11.500 ( 7.282 -6.870 -0.663) 10.033 11.665 ( -8.571 -9.773 -0.137) 13.000 11.983 ( 6.083 -6.394 8.057) 11.950 12.111 ( -6.851 -5.341 1.856) 8.883 12.252 ( 0.556 -0.517 5.642) 5.693 12.329 ( -6.554 -1.232 7.378) 9.945 12.621 ( 4.698 13.825 -7.830) 16.569 12.732 ( -6.251 11.741 -6.668) 14.879 13.448 ( 3.925 -9.128 -13.513) 16.773 13.522 ( -2.890 -11.447 -8.476) 14.533 13.898 ( 9.259 6.247 -13.863) 17.803 14.061 ( -3.835 -3.924 -12.172) 13.351 14.227 ( 4.049 -3.496 1.274) 5.500 14.298 ( -2.160 -3.558 0.990) 4.279 14.324 ( 3.452 7.017 -3.738) 8.668 14.404 ( -3.339 -0.806 -5.372) 6.376 14.636 ( 9.006 3.230 -6.677) 11.668 14.866 ( -3.049 7.487 -14.774) 16.841 14.997 ( 2.280 7.713 -11.686) 14.186 15.206 ( 5.818 4.289 -12.733) 14.641 15.314 ( -13.538 4.587 -5.416) 15.286 15.386 ( -9.644 2.128 -15.173) 18.104 16.219 ( 5.304 -15.946 -19.628) 25.840 16.299 ( -1.858 -11.078 -17.397) 20.708 16.618 ( 8.578 0.023 1.386) 8.689 16.661 ( 4.638 3.685 -5.114) 7.826 16.830 ( -3.548 -3.391 -9.528) 10.718 16.839 ( -2.997 -0.852 4.642) 5.591 16.997 ( 0.532 0.649 -13.213) 13.239 17.116 ( -9.456 1.805 -19.972) 22.171 18.364 ( 6.857 0.340 7.601) 10.243 18.536 ( -9.154 0.861 6.304) 11.148 19.010 ( 11.214 3.748 7.651) 14.083 19.235 ( -9.143 0.937 -1.181) 9.266 20.396 ( 4.000 2.346 30.621) 30.970 20.629 ( -17.147 -4.875 23.663) 29.627 23.599 ( 11.143 3.173 -16.207) 19.922 23.848 ( -13.177 3.388 -14.145) 19.627 25.043 ( 3.350 -8.904 1.539) 9.637 25.129 ( -4.858 -8.369 1.622) 9.812 25.478 ( 4.176 6.127 -8.235) 11.081 25.537 ( -1.522 5.347 -6.784) 8.771======================= Grid point 132 (49/108) =======================q-point: ( 0.00 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.116 ( 0.000 -6.334 24.637) 25.438 2.116 ( 0.000 6.334 24.637) 25.438 2.783 ( 0.000 -8.495 23.161) 24.670 2.783 ( 0.000 8.495 23.161) 24.670 3.630 ( 0.000 -9.352 3.607) 10.024 3.630 ( 0.000 9.352 3.607) 10.024 4.558 ( 0.000 -16.137 6.589) 17.430 4.558 ( 0.000 16.137 6.589) 17.430 4.753 ( 0.000 -6.441 17.122) 18.293 4.753 ( 0.000 6.441 17.122) 18.293 5.437 ( 0.000 -19.355 6.852) 20.532 5.437 ( 0.000 19.355 6.852) 20.532 6.258 ( 0.000 -5.111 9.252) 10.570 6.258 ( 0.000 5.111 9.252) 10.570 7.463 ( 0.000 -14.012 -9.431) 16.890 7.463 ( 0.000 14.012 -9.431) 16.890 7.654 ( 0.000 -15.516 6.732) 16.914 7.654 ( 0.000 15.516 6.732) 16.914 8.613 ( 0.000 -13.864 4.359) 14.534 8.613 ( 0.000 13.864 4.359) 14.534 9.327 ( 0.000 -19.621 -4.833) 20.207 9.327 ( 0.000 19.621 -4.833) 20.207 10.208 ( 0.000 -2.736 1.720) 3.232 10.208 ( 0.000 2.736 1.720) 3.232 10.524 ( 0.000 -16.878 19.047) 25.449 10.524 ( 0.000 16.878 19.047) 25.449 10.902 ( 0.000 -8.864 -7.265) 11.461 10.902 ( 0.000 8.864 -7.265) 11.461 11.194 ( 0.000 -4.679 6.586) 8.079 11.194 ( 0.000 4.679 6.586) 8.079 12.064 ( 0.000 -3.996 -12.414) 13.042 12.064 ( 0.000 3.996 -12.414) 13.042 12.334 ( 0.000 -3.573 2.710) 4.485 12.334 ( 0.000 3.573 2.710) 4.485 12.582 ( 0.000 -2.977 -4.524) 5.415 12.582 ( 0.000 2.977 -4.524) 5.415 12.849 ( 0.000 -0.889 1.392) 1.651 12.849 ( 0.000 0.889 1.392) 1.651 13.145 ( 0.000 -0.582 -16.545) 16.555 13.145 ( 0.000 0.582 -16.545) 16.555 13.702 ( 0.000 -10.399 -4.204) 11.217 13.702 ( 0.000 10.399 -4.204) 11.217 13.962 ( 0.000 -11.379 6.440) 13.075 13.962 ( 0.000 11.379 6.440) 13.075 14.243 ( 0.000 -12.445 7.554) 14.558 14.243 ( 0.000 12.445 7.554) 14.558 14.565 ( 0.000 -0.120 0.281) 0.306 14.565 ( 0.000 0.120 0.281) 0.306 15.340 ( 0.000 -7.741 -6.292) 9.975 15.340 ( 0.000 7.741 -6.292) 9.975 15.534 ( 0.000 -1.468 -9.105) 9.222 15.534 ( 0.000 1.468 -9.105) 9.222 16.066 ( 0.000 -7.467 3.503) 8.248 16.066 ( 0.000 7.467 3.503) 8.248 16.478 ( 0.000 -2.346 14.514) 14.703 16.478 ( 0.000 2.346 14.514) 14.703 17.529 ( 0.000 -0.056 -1.284) 1.285 17.529 ( 0.000 0.056 -1.284) 1.285 17.605 ( 0.000 -0.104 1.692) 1.695 17.605 ( 0.000 0.104 1.692) 1.695 18.312 ( 0.000 -4.864 -12.788) 13.681 18.312 ( 0.000 4.864 -12.788) 13.681 19.048 ( 0.000 -0.329 -2.096) 2.121 19.048 ( 0.000 0.329 -2.096) 2.121 22.281 ( 0.000 -0.556 9.435) 9.451 22.281 ( 0.000 0.556 9.435) 9.451 23.871 ( 0.000 -6.388 5.097) 8.172 23.871 ( 0.000 6.388 5.097) 8.172 24.815 ( 0.000 -1.271 -5.757) 5.896 24.815 ( 0.000 1.271 -5.757) 5.896 25.361 ( 0.000 -6.597 -5.918) 8.863 25.361 ( 0.000 6.597 -5.918) 8.863======================= Grid point 134 (50/108) =======================q-point: ( 0.09 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.100 ( -0.501 0.000 22.466) 22.472 2.284 ( 14.480 0.000 22.632) 26.868 2.700 ( 2.842 0.000 19.918) 20.120 2.757 ( -5.609 0.000 21.872) 22.580 3.655 ( 5.471 -0.000 -0.701) 5.516 3.987 ( 21.166 0.000 -4.303) 21.598 4.244 ( -9.541 0.000 7.830) 12.343 4.681 ( 2.735 0.000 21.088) 21.265 4.790 ( -6.331 0.000 9.460) 11.383 4.893 ( 12.491 0.000 7.798) 14.726 5.239 ( -7.995 -0.000 10.143) 12.915 5.583 ( 3.236 0.000 0.777) 3.328 6.317 ( 11.737 0.000 6.749) 13.540 6.545 ( 17.209 0.000 5.647) 18.112 7.271 ( -10.042 0.000 15.993) 18.884 7.507 ( 0.149 -0.000 -15.064) 15.064 7.524 ( 3.387 0.000 -9.890) 10.454 7.945 ( 10.721 0.000 0.641) 10.740 8.468 ( -1.784 -0.000 6.832) 7.061 8.849 ( 9.321 0.000 9.002) 12.958 9.281 ( -5.229 -0.000 -5.257) 7.415 9.304 ( 0.600 0.000 -6.157) 6.186 10.101 ( -5.285 0.000 1.488) 5.490 10.195 ( -8.531 0.000 14.888) 17.159 10.280 ( -3.548 0.000 5.040) 6.164 10.655 ( -7.863 0.000 9.399) 12.254 10.837 ( -2.960 -0.000 -9.058) 9.530 10.933 ( -4.827 -0.000 -2.239) 5.321 11.083 ( 8.840 0.000 5.015) 10.163 11.386 ( 5.311 0.000 8.031) 9.628 11.992 ( -5.053 -0.000 -8.816) 10.162 12.161 ( 8.102 0.000 -13.451) 15.702 12.248 ( -18.435 0.000 -8.715) 20.391 12.272 ( -4.304 0.000 -3.657) 5.648 12.572 ( -5.784 0.000 12.907) 14.143 12.600 ( 0.696 -0.000 -2.451) 2.548 12.684 ( 18.401 0.000 0.070) 18.401 12.966 ( 1.638 0.000 -2.856) 3.292 13.137 ( 1.960 0.000 -15.257) 15.383 13.282 ( -14.325 0.000 -8.585) 16.701 13.581 ( 14.341 0.000 -8.294) 16.567 13.748 ( -3.145 0.000 2.151) 3.810 13.931 ( -2.858 0.000 2.818) 4.014 14.037 ( 4.979 -0.000 4.318) 6.591 14.259 ( 0.890 0.000 4.301) 4.392 14.312 ( 3.241 -0.000 12.784) 13.188 14.456 ( -3.733 0.000 4.340) 5.725 14.678 ( 5.285 0.000 -1.047) 5.388 15.335 ( 2.574 -0.000 -11.399) 11.686 15.359 ( -1.391 0.000 -7.102) 7.237 15.536 ( 2.511 -0.000 -8.578) 8.939 15.584 ( 2.055 0.000 -8.702) 8.942 15.877 ( -8.432 0.000 0.291) 8.437 16.124 ( -2.260 0.000 2.693) 3.516 16.474 ( 2.096 0.000 15.283) 15.426 16.557 ( 3.959 0.000 10.952) 11.646 17.059 ( -16.447 0.000 2.927) 16.706 17.355 ( -9.483 0.000 0.007) 9.483 17.604 ( -3.404 0.000 -7.262) 8.020 17.835 ( -8.818 0.000 -9.344) 12.848 18.398 ( 19.494 0.000 -7.944) 21.050 18.596 ( 14.108 0.000 -6.766) 15.646 18.845 ( -12.753 0.000 2.943) 13.088 19.102 ( -1.080 0.000 -2.187) 2.440 21.994 ( -16.523 0.000 8.192) 18.442 22.343 ( -6.591 0.000 15.125) 16.499 23.350 ( -18.003 0.000 -2.021) 18.116 24.291 ( 6.765 0.000 -2.880) 7.353 24.779 ( 10.690 0.000 -2.548) 10.990 25.041 ( 9.882 0.000 -2.759) 10.260 25.219 ( -6.359 0.000 -8.586) 10.684 25.481 ( 4.655 0.000 -3.140) 5.615======================= Grid point 136 (51/108) =======================q-point: ( 0.18 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.161 ( 8.745 -0.000 9.144) 12.653 2.573 ( 6.752 0.000 24.376) 25.294 2.813 ( 18.439 0.000 7.908) 20.063 2.902 ( 14.849 0.000 18.324) 23.585 3.633 ( -5.917 0.000 -3.099) 6.679 4.224 ( 5.072 0.000 7.834) 9.333 4.339 ( 7.017 0.000 -13.092) 14.854 4.511 ( -14.266 0.000 3.534) 14.698 4.856 ( 12.335 0.000 15.132) 19.523 5.025 ( -0.358 0.000 5.943) 5.954 5.223 ( 6.974 0.000 9.308) 11.631 5.546 ( -6.982 0.000 -5.807) 9.081 6.444 ( 0.211 0.000 19.918) 19.919 6.880 ( 14.681 0.000 -0.739) 14.699 7.365 ( 17.851 0.000 -0.017) 17.851 7.539 ( 2.680 0.000 -15.154) 15.389 7.600 ( 4.192 -0.000 3.518) 5.473 8.111 ( 7.238 0.000 -9.382) 11.850 8.527 ( 6.135 0.000 7.550) 9.728 8.921 ( -0.802 -0.000 15.500) 15.521 9.126 ( -9.566 0.000 -4.225) 10.458 9.405 ( 7.269 0.000 -4.319) 8.455 10.002 ( -4.680 0.000 2.899) 5.505 10.074 ( -4.435 0.000 13.371) 14.088 10.166 ( -6.374 0.000 -0.175) 6.376 10.367 ( -15.901 0.000 4.863) 16.628 10.781 ( -2.962 0.000 -7.999) 8.530 10.896 ( 0.301 -0.000 -2.006) 2.029 11.215 ( 2.424 0.000 1.352) 2.775 11.438 ( 0.994 0.000 8.199) 8.259 11.865 ( -7.327 -0.000 -2.281) 7.674 11.898 ( -12.810 0.000 -3.783) 13.357 12.106 ( -11.537 0.000 -2.859) 11.886 12.359 ( 9.429 0.000 -15.025) 17.739 12.475 ( -4.977 0.000 8.546) 9.889 12.620 ( -0.502 0.000 -0.032) 0.503 12.914 ( -16.776 0.000 -12.597) 20.979 13.031 ( 5.740 0.000 -8.241) 10.043 13.135 ( 11.358 0.000 -6.612) 13.142 13.178 ( 10.076 0.000 -6.185) 11.822 13.708 ( 2.304 0.000 6.558) 6.951 13.856 ( -2.756 0.000 -4.279) 5.089 13.863 ( 9.912 -0.000 -3.273) 10.438 14.171 ( 7.572 0.000 2.320) 7.920 14.225 ( -3.561 0.000 -2.878) 4.579 14.242 ( -7.032 0.000 19.373) 20.610 14.498 ( 4.008 0.000 5.092) 6.480 14.750 ( 0.930 0.000 5.152) 5.235 15.260 ( -7.603 0.000 -7.942) 10.995 15.433 ( 5.800 0.000 -16.934) 17.900 15.583 ( -1.551 0.000 -7.979) 8.128 15.655 ( 9.149 -0.000 -8.730) 12.646 15.795 ( 1.131 0.000 -5.508) 5.623 16.113 ( 4.196 0.000 0.192) 4.200 16.534 ( -8.664 0.000 5.141) 10.075 16.540 ( 3.336 -0.000 13.048) 13.468 16.911 ( -0.659 0.000 2.291) 2.384 17.200 ( -5.307 0.000 -6.158) 8.130 17.319 ( -20.120 -0.000 -29.815) 35.969 17.705 ( -5.391 0.000 0.144) 5.393 18.569 ( -12.837 0.000 11.120) 16.984 18.682 ( 7.475 0.000 -3.738) 8.358 18.872 ( 12.889 0.000 -1.575) 12.985 19.021 ( -6.330 0.000 -0.036) 6.330 21.627 ( -19.312 0.000 9.988) 21.742 21.991 ( -26.466 0.000 21.376) 34.020 23.177 ( -0.488 0.000 -15.485) 15.493 24.335 ( 0.999 0.000 -10.054) 10.103 24.974 ( 1.791 0.000 2.520) 3.092 25.170 ( 4.245 0.000 -11.091) 11.876 25.187 ( 4.298 -0.000 -0.212) 4.303 25.548 ( 2.091 0.000 -1.279) 2.452======================= Grid point 138 (52/108) =======================q-point: ( 0.27 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.475 ( 21.332 -0.000 -6.162) 22.204 2.679 ( 6.127 0.000 9.419) 11.236 3.234 ( 16.601 0.000 15.585) 22.770 3.306 ( 22.676 0.000 4.700) 23.158 3.549 ( 2.051 0.000 4.635) 5.069 4.048 ( -20.592 0.000 -0.956) 20.615 4.353 ( 6.150 0.000 3.650) 7.152 4.416 ( -7.208 0.000 -3.425) 7.981 5.088 ( 8.134 -0.000 6.619) 10.487 5.105 ( 6.774 0.000 -5.756) 8.889 5.299 ( 0.070 0.000 -2.398) 2.399 5.314 ( -14.110 -0.000 -11.930) 18.477 6.542 ( 11.681 0.000 34.426) 36.354 7.127 ( 10.010 0.000 -6.698) 12.044 7.591 ( 4.057 0.000 -15.183) 15.716 7.694 ( 4.516 -0.000 21.197) 21.672 7.778 ( 17.897 0.000 -10.240) 20.620 8.262 ( 7.190 0.000 -14.716) 16.379 8.685 ( 8.974 0.000 3.641) 9.685 8.893 ( -1.175 -0.000 16.203) 16.246 8.927 ( -8.510 0.000 -2.181) 8.785 9.508 ( 2.156 0.000 3.908) 4.463 9.887 ( -7.299 -0.000 5.717) 9.271 9.888 ( -10.406 0.000 9.436) 14.047 10.092 ( -10.289 0.000 2.309) 10.545 10.156 ( 1.298 0.000 -2.180) 2.537 10.709 ( -3.372 0.000 -6.788) 7.580 10.930 ( 2.861 0.000 0.345) 2.882 11.196 ( -3.395 0.000 -4.317) 5.492 11.449 ( 0.050 0.000 8.019) 8.019 11.702 ( -7.406 -0.000 7.901) 10.829 11.763 ( -1.961 0.000 -0.751) 2.100 11.838 ( -13.954 0.000 3.438) 14.371 12.360 ( -5.955 0.000 4.317) 7.355 12.420 ( -8.219 0.000 -15.900) 17.899 12.555 ( -2.240 0.000 6.184) 6.577 12.700 ( -2.613 0.000 -15.265) 15.487 13.113 ( -3.909 -0.000 -11.135) 11.801 13.216 ( 10.988 0.000 -20.594) 23.342 13.370 ( 1.182 0.000 -2.383) 2.660 13.800 ( 2.566 0.000 -3.779) 4.568 13.960 ( -2.782 -0.000 0.125) 2.785 14.027 ( 20.859 0.000 3.762) 21.195 14.117 ( 0.756 -0.000 16.020) 16.038 14.157 ( -2.072 0.000 -9.908) 10.122 14.344 ( 6.977 0.000 -0.042) 6.978 14.520 ( -1.933 0.000 6.278) 6.568 14.712 ( -3.887 0.000 3.107) 4.976 15.124 ( -3.899 0.000 -11.202) 11.861 15.503 ( 0.231 0.000 -11.756) 11.758 15.594 ( 2.876 0.000 -9.501) 9.927 15.790 ( 2.150 0.000 -5.654) 6.049 15.976 ( 15.404 -0.000 -8.740) 17.711 16.222 ( -16.074 0.000 -13.232) 20.820 16.291 ( 8.224 -0.000 1.621) 8.382 16.535 ( -6.131 0.000 0.908) 6.197 16.923 ( 0.021 0.000 0.445) 0.446 16.960 ( -11.704 0.000 -26.081) 28.587 17.117 ( -3.646 -0.000 -8.291) 9.057 17.554 ( -9.385 0.000 -6.415) 11.368 18.351 ( -7.751 0.000 14.929) 16.821 18.784 ( 4.229 0.000 1.800) 4.596 18.869 ( -7.985 0.000 3.419) 8.686 19.114 ( 10.557 0.000 -1.266) 10.633 21.221 ( -20.294 0.000 13.226) 24.223 21.367 ( -32.548 -0.000 26.756) 42.134 23.255 ( 6.869 0.000 -22.091) 23.134 24.308 ( -4.714 0.000 -12.680) 13.528 24.940 ( -2.244 0.000 2.039) 3.032 25.214 ( -1.534 0.000 1.964) 2.492 25.302 ( 6.874 0.000 -8.878) 11.228 25.578 ( 1.173 0.000 -2.027) 2.342======================= Grid point 140 (53/108) =======================q-point: ( 0.36 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.822 ( 7.725 0.000 -1.008) 7.790 2.973 ( 25.990 0.000 -16.661) 30.872 3.458 ( 2.149 0.000 5.677) 6.070 3.496 ( 2.039 0.000 0.859) 2.213 3.697 ( -6.493 0.000 11.203) 12.949 3.946 ( 26.196 0.000 5.216) 26.710 4.237 ( -7.855 0.000 0.440) 7.868 4.415 ( -1.101 0.000 2.238) 2.494 4.866 ( -22.608 0.000 -10.672) 25.001 5.099 ( -7.944 0.000 -0.456) 7.957 5.309 ( 7.066 0.000 -6.688) 9.729 5.358 ( 5.740 -0.000 -15.424) 16.457 6.866 ( 17.828 0.000 32.633) 37.186 7.303 ( 7.023 0.000 -5.198) 8.737 7.689 ( 5.581 0.000 -13.613) 14.713 7.759 ( 1.888 0.000 26.550) 26.617 8.060 ( 9.745 0.000 -10.197) 14.105 8.368 ( 1.987 0.000 -14.634) 14.768 8.738 ( -2.531 0.000 -1.581) 2.985 8.869 ( -1.616 0.000 13.945) 14.039 8.980 ( 13.100 0.000 2.850) 13.407 9.491 ( -3.176 0.000 2.743) 4.197 9.724 ( -7.159 -0.000 5.165) 8.827 9.756 ( -2.174 0.000 13.733) 13.904 9.935 ( -6.223 0.000 4.002) 7.399 10.084 ( -9.076 0.000 -1.076) 9.139 10.699 ( 2.790 0.000 -9.728) 10.120 10.985 ( 0.379 0.000 -2.033) 2.068 11.131 ( -0.460 0.000 -0.105) 0.471 11.423 ( -2.932 0.000 6.115) 6.781 11.558 ( -6.697 -0.000 3.662) 7.632 11.577 ( -10.781 0.000 8.590) 13.785 11.797 ( 4.384 0.000 7.826) 8.971 12.209 ( -9.528 0.000 -7.774) 12.297 12.261 ( -2.991 0.000 3.255) 4.421 12.447 ( -7.035 0.000 6.172) 9.359 12.744 ( 3.506 0.000 -15.362) 15.757 13.003 ( -6.375 0.000 -11.746) 13.364 13.351 ( -1.600 0.000 -4.685) 4.950 13.391 ( 3.796 -0.000 -19.156) 19.528 13.877 ( -0.149 0.000 -1.373) 1.381 13.893 ( 6.227 -0.000 -6.727) 9.167 14.131 ( 0.475 0.000 -4.538) 4.563 14.218 ( 5.620 0.000 8.365) 10.077 14.419 ( -2.550 -0.000 -10.570) 10.873 14.438 ( 11.990 -0.000 6.716) 13.742 14.486 ( 3.871 0.000 5.322) 6.581 14.662 ( 4.360 0.000 -10.866) 11.708 15.136 ( 4.679 0.000 -13.654) 14.433 15.450 ( -8.243 0.000 -10.302) 13.194 15.579 ( -7.108 0.000 -3.392) 7.876 15.716 ( -10.692 0.000 -6.649) 12.591 15.911 ( -5.895 -0.000 -29.549) 30.132 16.265 ( 3.983 0.000 -17.423) 17.873 16.375 ( 2.105 0.000 -7.174) 7.476 16.524 ( 11.413 -0.000 -2.725) 11.733 16.848 ( -2.438 0.000 -5.938) 6.419 16.890 ( -2.770 -0.000 -1.356) 3.084 17.040 ( -3.953 -0.000 -7.554) 8.526 17.343 ( -10.785 0.000 -13.695) 17.431 18.275 ( 0.591 0.000 11.258) 11.274 18.709 ( -7.691 0.000 5.336) 9.361 18.896 ( 7.022 0.000 6.895) 9.841 19.273 ( 4.060 0.000 -4.883) 6.350 20.764 ( -24.418 0.000 32.926) 40.992 20.826 ( -17.801 -0.000 17.520) 24.977 23.427 ( 9.732 0.000 -21.731) 23.811 24.143 ( -10.864 0.000 -14.707) 18.285 24.911 ( -0.418 0.000 4.119) 4.140 25.139 ( -5.352 0.000 3.782) 6.553 25.440 ( 6.405 0.000 -9.449) 11.415 25.599 ( 0.716 0.000 -4.849) 4.902======================= Grid point 142 (54/108) =======================q-point: ( 0.45 -0.50 0.20)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.998 ( 9.928 0.000 -7.071) 12.189 3.227 ( -11.221 0.000 -10.605) 15.439 3.472 ( 11.333 0.000 -8.524) 14.181 3.518 ( 2.950 -0.000 7.495) 8.055 3.852 ( 14.791 0.000 6.870) 16.309 4.191 ( 4.602 -0.000 3.855) 6.003 4.246 ( -14.420 -0.000 -13.064) 19.458 4.396 ( -14.866 0.000 1.816) 14.976 4.477 ( 17.544 0.000 5.377) 18.350 4.855 ( -15.733 0.000 0.350) 15.737 5.424 ( 3.622 0.000 -12.688) 13.195 5.443 ( 1.862 -0.000 -14.950) 15.066 7.192 ( 13.009 0.000 22.575) 26.055 7.359 ( -2.774 0.000 7.423) 7.924 7.790 ( 3.091 0.000 -4.743) 5.662 7.794 ( 1.757 0.000 13.709) 13.821 8.206 ( 5.948 0.000 -8.445) 10.330 8.325 ( -5.158 0.000 -11.327) 12.446 8.752 ( 3.155 0.000 1.522) 3.503 8.821 ( -3.097 0.000 7.159) 7.800 9.252 ( 11.554 -0.000 3.941) 12.208 9.412 ( -4.901 0.000 4.049) 6.357 9.663 ( 2.406 0.000 1.036) 2.620 9.748 ( -0.284 0.000 10.120) 10.124 9.827 ( -4.019 0.000 9.003) 9.859 9.854 ( -10.509 -0.000 2.107) 10.719 10.786 ( 5.128 0.000 -10.396) 11.592 10.904 ( -6.162 0.000 -8.857) 10.790 11.223 ( 7.374 -0.000 7.709) 10.668 11.359 ( -3.243 0.000 1.833) 3.725 11.408 ( -5.209 -0.000 12.478) 13.521 11.436 ( -4.915 0.000 4.265) 6.508 11.911 ( 6.415 0.000 5.764) 8.624 12.047 ( -6.961 0.000 -0.435) 6.975 12.250 ( 1.704 0.000 5.376) 5.640 12.320 ( -4.997 0.000 6.728) 8.380 12.806 ( 2.898 0.000 -13.969) 14.266 12.882 ( -4.954 0.000 -13.219) 14.117 13.332 ( 0.160 0.000 -6.454) 6.456 13.369 ( -3.197 0.000 -8.015) 8.629 13.968 ( 5.512 0.000 -12.108) 13.304 14.001 ( 2.732 0.000 -10.130) 10.492 14.173 ( 3.650 0.000 0.796) 3.736 14.251 ( -2.782 0.000 6.694) 7.249 14.382 ( 0.790 0.000 -4.892) 4.956 14.437 ( -4.080 -0.000 2.232) 4.650 14.679 ( 15.131 0.000 -11.176) 18.811 14.965 ( 14.060 0.000 -13.293) 19.349 15.097 ( -17.006 0.000 -12.506) 21.110 15.263 ( 4.482 0.000 -12.317) 13.107 15.408 ( -15.142 -0.000 -14.225) 20.776 15.446 ( -6.386 0.000 -14.168) 15.541 15.966 ( 7.358 -0.000 -23.772) 24.885 16.138 ( -8.497 0.000 -20.374) 22.075 16.612 ( 11.560 0.000 0.472) 11.570 16.704 ( 4.766 -0.000 1.447) 4.981 16.801 ( -2.184 0.000 -2.564) 3.368 16.823 ( -4.660 0.000 -2.923) 5.501 16.994 ( 2.116 0.000 -11.626) 11.817 17.134 ( -9.539 0.000 -15.057) 17.824 18.370 ( 7.923 0.000 5.912) 9.885 18.547 ( -8.558 0.000 5.112) 9.968 19.065 ( 9.364 0.000 5.435) 10.827 19.244 ( -6.666 0.000 -3.497) 7.528 20.458 ( -4.796 0.000 33.253) 33.597 20.531 ( -10.314 -0.000 24.400) 26.490 23.646 ( 11.743 0.000 -19.014) 22.348 23.897 ( -12.710 0.000 -16.554) 20.870 24.934 ( 2.826 0.000 5.075) 5.808 25.022 ( -5.542 0.000 4.876) 7.382 25.548 ( 3.983 0.000 -9.379) 10.189 25.598 ( -1.048 0.000 -7.756) 7.826======================= Grid point 165 (55/108) =======================q-point: ( 0.00 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.317 ( 0.000 0.000 27.720) 27.720 2.940 ( 0.000 0.000 36.316) 36.316 3.076 ( 0.000 0.000 7.856) 7.856 3.284 ( 0.000 0.000 2.889) 2.889 3.381 ( 0.000 0.000 -1.269) 1.269 3.779 ( 0.000 0.000 20.972) 20.972 4.243 ( 0.000 0.000 14.908) 14.908 4.724 ( 0.000 0.000 -12.674) 12.674 4.868 ( 0.000 0.000 7.704) 7.704 5.079 ( 0.000 0.000 2.204) 2.204 5.851 ( 0.000 0.000 11.695) 11.695 5.890 ( 0.000 0.000 -15.273) 15.273 6.364 ( 0.000 0.000 16.235) 16.235 6.848 ( 0.000 0.000 12.584) 12.584 6.957 ( 0.000 0.000 1.860) 1.860 7.525 ( 0.000 0.000 19.352) 19.352 7.620 ( 0.000 0.000 -10.685) 10.685 8.173 ( 0.000 0.000 -0.674) 0.674 8.328 ( 0.000 0.000 1.534) 1.534 8.651 ( 0.000 0.000 2.092) 2.092 9.510 ( 0.000 0.000 16.639) 16.639 9.924 ( 0.000 0.000 -2.572) 2.572 9.997 ( 0.000 0.000 7.647) 7.647 10.043 ( 0.000 0.000 -5.461) 5.461 10.260 ( 0.000 0.000 -9.924) 9.924 10.544 ( 0.000 0.000 -6.514) 6.514 10.920 ( 0.000 0.000 1.275) 1.275 11.090 ( 0.000 0.000 -1.767) 1.767 11.150 ( 0.000 0.000 15.147) 15.147 11.435 ( 0.000 0.000 13.066) 13.066 11.730 ( 0.000 0.000 -18.278) 18.278 12.067 ( 0.000 0.000 -6.235) 6.235 12.186 ( 0.000 0.000 -10.699) 10.699 12.417 ( 0.000 0.000 -10.947) 10.947 12.479 ( 0.000 0.000 -4.884) 4.884 12.602 ( 0.000 0.000 -6.303) 6.303 12.648 ( 0.000 0.000 -11.684) 11.684 12.839 ( 0.000 0.000 1.935) 1.935 12.873 ( 0.000 0.000 0.898) 0.898 12.890 ( 0.000 0.000 -0.173) 0.173 13.615 ( 0.000 0.000 6.968) 6.968 13.771 ( 0.000 0.000 -5.771) 5.771 13.771 ( 0.000 0.000 -4.549) 4.549 14.094 ( 0.000 0.000 10.963) 10.963 14.184 ( 0.000 0.000 -6.076) 6.076 14.463 ( 0.000 0.000 4.293) 4.293 14.522 ( 0.000 0.000 4.042) 4.042 14.832 ( 0.000 0.000 4.383) 4.383 15.128 ( 0.000 0.000 4.440) 4.440 15.365 ( 0.000 0.000 -5.642) 5.642 15.487 ( 0.000 0.000 -9.279) 9.279 15.497 ( 0.000 0.000 -8.494) 8.494 15.957 ( 0.000 0.000 17.298) 17.298 16.232 ( 0.000 0.000 3.928) 3.928 16.719 ( 0.000 0.000 7.432) 7.432 16.917 ( 0.000 0.000 10.351) 10.351 17.449 ( 0.000 0.000 -5.328) 5.328 17.526 ( 0.000 0.000 -5.778) 5.778 17.574 ( 0.000 0.000 -3.099) 3.099 17.748 ( 0.000 0.000 4.596) 4.596 18.281 ( 0.000 0.000 -5.030) 5.030 18.394 ( 0.000 0.000 -6.347) 6.347 18.433 ( 0.000 0.000 -8.539) 8.539 18.823 ( 0.000 0.000 -7.131) 7.131 22.392 ( 0.000 0.000 10.149) 10.149 22.657 ( 0.000 0.000 17.396) 17.396 23.638 ( 0.000 0.000 -6.099) 6.099 24.204 ( 0.000 0.000 -13.406) 13.406 24.706 ( 0.000 0.000 1.374) 1.374 24.801 ( 0.000 0.000 0.350) 0.350 24.959 ( 0.000 0.000 -1.183) 1.183 25.416 ( 0.000 0.000 -6.050) 6.050======================= Grid point 166 (56/108) =======================q-point: ( 0.09 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.441 ( 11.537 0.000 25.046) 27.576 2.719 ( -16.496 0.000 35.201) 38.874 3.101 ( 2.031 0.000 8.625) 8.861 3.154 ( -5.409 0.000 2.569) 5.988 3.582 ( 15.505 0.000 -1.176) 15.549 4.029 ( 15.589 0.000 17.941) 23.767 4.109 ( -12.256 0.000 11.853) 17.050 4.565 ( -9.856 0.000 -12.184) 15.671 4.861 ( -0.067 0.000 10.277) 10.277 5.239 ( 9.712 0.000 1.130) 9.778 5.792 ( -8.630 0.000 -11.011) 13.990 5.804 ( -6.547 0.000 0.257) 6.552 6.516 ( 15.488 0.000 15.132) 21.653 6.913 ( 5.703 0.000 5.731) 8.085 6.997 ( 3.999 0.000 1.705) 4.348 7.446 ( -5.987 0.000 27.114) 27.767 7.644 ( 2.347 0.000 -11.143) 11.388 8.169 ( -0.933 0.000 -0.647) 1.135 8.370 ( 4.004 0.000 2.621) 4.786 8.668 ( 1.911 0.000 2.812) 3.399 9.527 ( 1.356 0.000 15.617) 15.676 9.904 ( -2.153 0.000 -1.474) 2.609 10.034 ( -0.893 0.000 -8.229) 8.277 10.052 ( 4.946 0.000 4.230) 6.508 10.284 ( 1.603 0.000 -7.646) 7.813 10.362 ( -14.223 0.000 -1.462) 14.298 10.930 ( -12.864 0.000 5.989) 14.190 11.050 ( 9.025 0.000 -1.362) 9.127 11.079 ( -2.976 0.000 6.472) 7.123 11.624 ( 9.498 0.000 3.760) 10.215 11.694 ( -0.429 0.000 -7.930) 7.942 11.834 ( -18.037 0.000 -7.844) 19.669 11.863 ( -15.839 0.000 -4.342) 16.423 12.495 ( 1.776 0.000 -6.270) 6.516 12.563 ( -4.129 0.000 -10.733) 11.500 12.648 ( 3.537 0.000 -1.455) 3.825 12.760 ( -0.532 0.000 2.254) 2.315 12.807 ( 2.068 0.000 -0.978) 2.288 12.917 ( 11.452 0.000 -15.087) 18.941 13.037 ( 10.831 0.000 -6.740) 12.757 13.373 ( -8.885 0.000 3.594) 9.584 13.759 ( -0.646 0.000 -5.596) 5.633 13.988 ( 4.525 0.000 12.643) 13.428 14.196 ( 0.716 0.000 -6.057) 6.099 14.204 ( 7.360 0.000 9.454) 11.981 14.469 ( 4.808 0.000 3.711) 6.074 14.553 ( 4.836 0.000 -6.045) 7.742 14.799 ( -3.171 0.000 4.820) 5.769 15.058 ( -6.680 0.000 3.282) 7.443 15.325 ( -4.884 0.000 -2.761) 5.611 15.499 ( 3.255 0.000 -9.088) 9.653 15.553 ( 3.186 0.000 -9.592) 10.107 15.884 ( -4.739 0.000 13.705) 14.501 16.170 ( -7.350 0.000 3.908) 8.324 16.669 ( -5.339 0.000 5.543) 7.696 16.818 ( -13.427 0.000 -1.996) 13.575 17.135 ( -17.496 0.000 4.476) 18.059 17.226 ( -12.725 0.000 2.455) 12.960 17.455 ( -6.169 0.000 -8.866) 10.801 18.088 ( -2.377 0.000 -8.605) 8.927 18.393 ( 6.997 0.000 -0.980) 7.065 18.405 ( 9.634 0.000 -7.418) 12.159 18.551 ( 14.117 0.000 -4.972) 14.967 18.911 ( 5.885 0.000 -3.364) 6.778 22.169 ( -16.964 0.000 11.567) 20.533 22.689 ( -2.395 0.000 18.481) 18.636 23.252 ( -23.882 0.000 -4.760) 24.352 24.356 ( 2.136 0.000 -15.476) 15.622 24.663 ( -5.512 0.000 -1.123) 5.625 24.835 ( 12.516 0.000 -1.920) 12.662 25.132 ( 9.731 0.000 -0.214) 9.733 25.437 ( 1.693 0.000 -5.084) 5.358======================= Grid point 167 (57/108) =======================q-point: ( 0.18 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( -8.925 0.000 22.964) 24.638 2.739 ( 16.079 0.000 21.088) 26.518 3.133 ( 0.864 0.000 6.755) 6.810 3.135 ( 3.092 0.000 4.865) 5.764 3.833 ( -12.802 0.000 0.764) 12.825 3.911 ( 15.284 0.000 -1.726) 15.381 4.246 ( 4.926 0.000 14.802) 15.601 4.404 ( -5.266 0.000 -6.633) 8.470 4.893 ( 3.247 0.000 12.115) 12.542 5.365 ( 1.259 0.000 -3.090) 3.336 5.568 ( -15.534 0.000 -11.287) 19.201 5.592 ( -9.417 0.000 -3.129) 9.923 6.933 ( 22.778 0.000 6.252) 23.621 7.048 ( 7.095 0.000 -2.295) 7.457 7.120 ( 8.007 0.000 -1.315) 8.115 7.368 ( -0.189 0.000 37.030) 37.030 7.716 ( 4.766 0.000 -11.412) 12.368 8.145 ( -0.362 0.000 3.315) 3.334 8.483 ( 6.949 0.000 3.906) 7.972 8.729 ( 3.981 0.000 2.643) 4.779 9.546 ( -0.147 0.000 12.155) 12.156 9.828 ( -5.130 0.000 5.312) 7.385 10.006 ( -1.880 0.000 -13.906) 14.033 10.035 ( -16.374 0.000 2.620) 16.582 10.179 ( 6.155 0.000 -1.950) 6.456 10.284 ( -2.528 0.000 -2.471) 3.535 10.673 ( -11.336 0.000 1.532) 11.439 11.071 ( 3.026 0.000 8.537) 9.058 11.167 ( -0.574 0.000 -2.359) 2.428 11.516 ( -13.671 0.000 2.565) 13.909 11.522 ( -9.342 0.000 -13.860) 16.715 11.633 ( -2.221 0.000 -12.041) 12.244 11.924 ( 12.376 0.000 11.381) 16.813 12.481 ( -4.477 0.000 -2.234) 5.003 12.513 ( -0.871 0.000 -10.254) 10.290 12.573 ( -10.192 0.000 -4.431) 11.114 12.740 ( 4.779 0.000 -0.930) 4.869 12.812 ( -2.601 0.000 -3.834) 4.633 12.997 ( -5.395 0.000 7.475) 9.218 13.270 ( 11.790 0.000 -11.528) 16.489 13.442 ( 10.513 0.000 -11.919) 15.893 13.772 ( 2.500 0.000 -5.861) 6.372 14.037 ( -0.912 0.000 7.477) 7.533 14.155 ( -3.875 0.000 13.781) 14.315 14.189 ( -1.924 0.000 -6.573) 6.848 14.529 ( 1.260 0.000 9.021) 9.108 14.686 ( -8.957 0.000 4.785) 10.155 14.909 ( -5.849 0.000 -3.429) 6.780 14.920 ( 22.909 0.000 -12.938) 26.311 15.148 ( -10.660 0.000 2.303) 10.906 15.593 ( 3.743 0.000 -9.723) 10.419 15.625 ( 4.991 0.000 -8.616) 9.957 15.835 ( -1.744 0.000 9.273) 9.436 15.985 ( -6.068 0.000 -0.599) 6.097 16.295 ( -31.508 0.000 -16.708) 35.664 16.535 ( -8.646 0.000 -0.618) 8.668 16.931 ( -4.967 0.000 2.808) 5.705 17.114 ( -1.251 0.000 11.074) 11.144 17.317 ( -6.977 0.000 -10.749) 12.814 17.760 ( -22.695 0.000 -18.005) 28.969 18.552 ( 8.795 0.000 3.267) 9.382 18.632 ( 5.994 0.000 0.451) 6.011 18.845 ( 13.405 0.000 -2.972) 13.731 18.997 ( 1.892 0.000 0.484) 1.953 21.782 ( -20.420 0.000 15.153) 25.428 22.484 ( -17.051 0.000 21.149) 27.167 22.895 ( -9.964 0.000 -10.048) 14.151 24.272 ( -8.325 0.000 -15.683) 17.755 24.663 ( 5.138 0.000 -2.588) 5.753 25.060 ( 7.283 0.000 -6.422) 9.710 25.289 ( 5.563 0.000 -0.251) 5.568 25.462 ( 0.265 0.000 -3.427) 3.437======================= Grid point 168 (58/108) =======================q-point: ( 0.27 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.403 ( 5.846 0.000 4.300) 7.257 2.923 ( -1.119 0.000 15.343) 15.384 3.259 ( 8.540 0.000 6.072) 10.479 3.261 ( 15.116 0.000 -0.998) 15.149 3.601 ( -10.880 0.000 -8.234) 13.644 4.122 ( 2.944 0.000 -1.541) 3.323 4.273 ( -0.795 0.000 13.266) 13.290 4.399 ( 5.688 0.000 2.812) 6.345 4.945 ( 0.134 0.000 0.040) 0.140 5.231 ( -12.999 0.000 -10.389) 16.640 5.261 ( -11.174 0.000 -6.808) 13.085 5.478 ( -3.251 0.000 5.496) 6.385 7.197 ( 7.628 0.000 -6.693) 10.148 7.302 ( 9.087 0.000 -4.297) 10.052 7.349 ( 17.028 0.000 1.811) 17.124 7.445 ( 6.823 0.000 32.120) 32.836 7.842 ( 7.546 0.000 -8.622) 11.458 8.191 ( 5.008 0.000 10.775) 11.882 8.651 ( 9.591 0.000 3.216) 10.116 8.834 ( 6.622 0.000 1.570) 6.806 9.498 ( -4.319 0.000 7.797) 8.913 9.696 ( -16.328 0.000 6.403) 17.539 9.733 ( -3.484 0.000 10.780) 11.329 9.952 ( -3.730 0.000 -12.208) 12.765 10.166 ( -8.214 0.000 3.482) 8.921 10.304 ( 5.692 0.000 -7.015) 9.033 10.490 ( -7.303 0.000 -3.203) 7.975 11.017 ( -11.469 0.000 -6.563) 13.214 11.184 ( 6.542 0.000 11.602) 13.319 11.334 ( -3.734 0.000 2.209) 4.338 11.335 ( -7.505 0.000 -12.625) 14.687 11.726 ( 7.146 0.000 -9.478) 11.870 12.121 ( 6.690 0.000 9.255) 11.420 12.283 ( -11.464 0.000 3.019) 11.855 12.409 ( -8.035 0.000 -7.382) 10.912 12.520 ( 1.457 0.000 -11.478) 11.570 12.759 ( -1.556 0.000 -8.172) 8.319 12.808 ( 1.309 0.000 -3.275) 3.527 12.858 ( -7.865 0.000 17.494) 19.181 13.516 ( 12.544 0.000 -15.286) 19.774 13.564 ( 0.573 0.000 -8.009) 8.030 13.869 ( -9.744 0.000 0.998) 9.795 13.870 ( 6.628 0.000 -9.123) 11.277 14.120 ( -4.132 0.000 -7.652) 8.696 14.213 ( 3.952 0.000 5.484) 6.760 14.445 ( -13.538 0.000 -4.752) 14.348 14.565 ( 1.679 0.000 6.112) 6.339 14.833 ( -3.012 0.000 -8.050) 8.595 14.881 ( -10.234 0.000 12.023) 15.789 15.382 ( 16.568 0.000 -11.054) 19.918 15.525 ( -16.718 0.000 -12.412) 20.822 15.692 ( -14.463 0.000 -8.508) 16.780 15.767 ( 0.155 0.000 5.727) 5.729 15.782 ( 4.441 0.000 -11.532) 12.357 16.042 ( 8.059 0.000 -6.932) 10.630 16.417 ( -1.019 0.000 -3.650) 3.789 16.852 ( -3.802 0.000 -1.799) 4.206 17.080 ( -3.997 0.000 1.529) 4.279 17.175 ( -6.424 0.000 -5.041) 8.166 17.247 ( -26.572 0.000 -22.187) 34.617 18.645 ( -3.006 0.000 7.906) 8.458 18.744 ( 9.858 0.000 7.094) 12.145 18.979 ( -3.614 0.000 3.551) 5.067 19.075 ( 9.012 0.000 -3.756) 9.763 21.371 ( -18.987 0.000 21.633) 28.784 22.062 ( -22.810 0.000 23.022) 32.408 22.836 ( 3.064 0.000 -17.051) 17.325 24.055 ( -12.603 0.000 -17.083) 21.229 24.825 ( 9.648 0.000 -4.343) 10.581 25.129 ( 0.522 0.000 -6.505) 6.526 25.361 ( 1.673 0.000 -1.437) 2.205 25.435 ( -2.966 0.000 -2.526) 3.896======================= Grid point 169 (59/108) =======================q-point: ( 0.36 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.655 ( 18.023 0.000 -11.231) 21.236 2.868 ( -1.421 0.000 0.808) 1.635 3.323 ( -12.432 0.000 -11.407) 16.872 3.454 ( 9.869 0.000 6.799) 11.984 3.670 ( 19.651 0.000 -2.282) 19.783 4.042 ( -9.550 0.000 -2.955) 9.996 4.130 ( -13.950 0.000 2.747) 14.218 4.614 ( 13.977 0.000 8.924) 16.583 4.912 ( -17.664 0.000 -8.999) 19.824 4.944 ( 3.079 0.000 -7.639) 8.236 5.174 ( -0.482 0.000 6.577) 6.595 5.385 ( -6.442 0.000 6.587) 9.213 7.353 ( 7.326 0.000 -9.243) 11.794 7.460 ( 5.895 0.000 -5.305) 7.931 7.554 ( 6.288 0.000 -4.153) 7.536 7.684 ( 13.010 0.000 20.636) 24.394 7.985 ( 6.021 0.000 0.253) 6.026 8.315 ( 5.669 0.000 17.868) 18.746 8.869 ( 11.608 0.000 2.238) 11.821 8.996 ( 8.371 0.000 0.660) 8.397 9.398 ( -12.064 0.000 10.628) 16.078 9.417 ( -3.022 0.000 8.171) 8.712 9.669 ( -3.182 0.000 4.358) 5.396 9.852 ( -5.546 0.000 -1.041) 5.643 10.020 ( -4.912 0.000 3.834) 6.231 10.322 ( -9.990 0.000 0.822) 10.024 10.407 ( 4.445 0.000 -8.249) 9.370 10.778 ( -11.027 0.000 -8.356) 13.835 11.227 ( -0.252 0.000 -6.946) 6.951 11.317 ( 3.206 0.000 5.808) 6.634 11.346 ( 4.146 0.000 -2.230) 4.707 11.785 ( -3.563 0.000 -6.707) 7.595 12.115 ( -3.732 0.000 -5.736) 6.843 12.211 ( 3.105 0.000 3.469) 4.656 12.267 ( -4.633 0.000 2.667) 5.346 12.530 ( -2.954 0.000 -4.714) 5.563 12.689 ( -6.926 0.000 13.856) 15.491 12.750 ( -0.737 0.000 1.205) 1.413 12.838 ( 5.082 0.000 -15.354) 16.173 13.479 ( -6.404 0.000 -8.941) 10.998 13.717 ( -6.899 0.000 -6.286) 9.333 13.763 ( 8.401 0.000 -19.895) 21.596 13.919 ( -6.795 0.000 -23.274) 24.245 14.087 ( 4.224 0.000 -3.254) 5.332 14.225 ( -3.685 0.000 -10.226) 10.870 14.264 ( 1.786 0.000 0.808) 1.960 14.526 ( -5.810 0.000 -1.545) 6.012 14.729 ( -8.445 0.000 -11.987) 14.663 14.804 ( 4.189 0.000 19.059) 19.514 15.135 ( -13.098 0.000 -7.049) 14.875 15.414 ( -14.861 0.000 -7.424) 16.612 15.533 ( -0.898 0.000 6.162) 6.227 15.928 ( 12.295 0.000 -10.955) 16.467 15.981 ( 12.040 0.000 -7.831) 14.363 16.227 ( 8.930 0.000 -7.480) 11.649 16.503 ( 7.765 0.000 -4.027) 8.747 16.738 ( -16.776 0.000 -25.307) 30.363 16.770 ( -8.732 0.000 -5.792) 10.478 16.905 ( -11.685 0.000 -10.799) 15.911 17.074 ( -5.049 0.000 2.842) 5.794 18.575 ( -2.634 0.000 11.248) 11.552 18.859 ( -7.802 0.000 6.045) 9.869 18.943 ( 9.420 0.000 8.040) 12.385 19.205 ( 3.619 0.000 -4.574) 5.832 21.063 ( -9.951 0.000 28.021) 29.736 21.604 ( -21.542 0.000 25.185) 33.142 22.975 ( 9.743 0.000 -19.732) 22.006 23.776 ( -14.443 0.000 -17.861) 22.970 25.022 ( 9.234 0.000 -6.017) 11.021 25.125 ( -0.087 0.000 -5.517) 5.518 25.346 ( -5.457 0.000 -2.696) 6.086 25.362 ( -1.429 0.000 -3.543) 3.820======================= Grid point 170 (60/108) =======================q-point: ( 0.45 0.00 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.906 ( 5.275 0.000 -7.727) 9.356 3.075 ( -10.917 0.000 -11.455) 15.824 3.093 ( 24.021 0.000 -19.208) 30.756 3.547 ( -12.615 0.000 -11.257) 16.907 3.763 ( -2.138 0.000 0.036) 2.138 3.905 ( -9.283 0.000 11.047) 14.430 4.089 ( 21.007 0.000 -4.864) 21.562 4.512 ( -20.346 0.000 -7.494) 21.682 4.930 ( 15.047 0.000 10.598) 18.404 5.054 ( 6.043 0.000 -0.983) 6.123 5.148 ( -2.851 0.000 3.707) 4.676 5.204 ( -11.438 0.000 8.777) 14.417 7.479 ( 4.639 0.000 -9.017) 10.140 7.525 ( 0.358 0.000 -7.038) 7.048 7.689 ( 7.007 0.000 -7.048) 9.939 7.801 ( -2.147 0.000 -3.875) 4.430 8.156 ( 11.262 0.000 21.682) 24.433 8.341 ( -4.584 0.000 21.636) 22.116 9.107 ( 11.479 0.000 3.597) 12.029 9.131 ( 5.203 0.000 3.681) 6.374 9.232 ( -5.139 0.000 11.046) 12.183 9.318 ( -8.344 0.000 7.278) 11.073 9.661 ( 3.723 0.000 -2.259) 4.355 9.755 ( -4.286 0.000 1.675) 4.602 9.981 ( 1.504 0.000 8.797) 8.925 10.104 ( -10.037 0.000 6.281) 11.840 10.491 ( 4.189 0.000 -7.643) 8.716 10.596 ( -6.711 0.000 -7.995) 10.438 11.270 ( 3.647 0.000 -4.712) 5.958 11.333 ( -1.676 0.000 2.678) 3.159 11.470 ( 7.356 0.000 -7.193) 10.289 11.635 ( -8.734 0.000 -7.505) 11.516 12.108 ( 2.500 0.000 -2.126) 3.282 12.192 ( -4.406 0.000 5.013) 6.674 12.280 ( 4.268 0.000 -2.293) 4.845 12.401 ( -7.450 0.000 -4.243) 8.574 12.630 ( 1.874 0.000 12.500) 12.640 12.708 ( -3.813 0.000 8.219) 9.060 13.074 ( 17.035 0.000 -22.328) 28.084 13.417 ( 1.824 0.000 -14.716) 14.829 13.484 ( -21.959 0.000 -25.802) 33.881 13.544 ( -9.147 0.000 -13.285) 16.129 14.045 ( 9.620 0.000 -20.912) 23.019 14.167 ( -0.958 0.000 -10.521) 10.564 14.295 ( 9.343 0.000 -9.119) 13.055 14.310 ( 3.131 0.000 -1.100) 3.318 14.399 ( -5.632 0.000 -1.852) 5.928 14.514 ( -11.185 0.000 -8.950) 14.326 15.019 ( 15.627 0.000 15.644) 22.112 15.019 ( 0.177 0.000 -5.152) 5.155 15.133 ( -10.922 0.000 -6.246) 12.581 15.360 ( -15.269 0.000 11.196) 18.934 16.156 ( 9.702 0.000 -12.674) 15.961 16.257 ( 14.832 0.000 -8.600) 17.145 16.311 ( -3.895 0.000 -9.067) 9.868 16.540 ( 1.993 0.000 -20.355) 20.453 16.548 ( -10.923 0.000 -7.340) 13.160 16.649 ( -6.054 0.000 -12.018) 13.457 16.772 ( 5.744 0.000 -5.655) 8.061 16.940 ( -8.103 0.000 -0.231) 8.106 18.574 ( 2.964 0.000 10.752) 11.153 18.690 ( -7.872 0.000 8.410) 11.520 19.114 ( 7.085 0.000 4.328) 8.302 19.216 ( -2.539 0.000 -1.568) 2.984 21.004 ( 4.301 0.000 30.233) 30.538 21.217 ( -15.703 0.000 28.174) 32.255 23.207 ( 12.727 0.000 -19.317) 23.132 23.482 ( -14.201 0.000 -18.404) 23.246 25.149 ( 2.679 0.000 -4.502) 5.239 25.189 ( 7.045 0.000 -6.582) 9.642 25.232 ( -5.282 0.000 -3.510) 6.342 25.304 ( -4.291 0.000 -5.609) 7.062======================= Grid point 176 (61/108) =======================q-point: ( 0.00 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.445 ( 0.000 9.279 24.996) 26.662 2.781 ( 0.000 -7.873 23.858) 25.124 3.184 ( 0.000 4.220 26.142) 26.480 3.398 ( 0.000 8.593 -5.604) 10.259 3.450 ( 0.000 1.819 -0.789) 1.983 3.562 ( 0.000 -9.660 19.158) 21.455 4.457 ( 0.000 12.681 12.646) 17.908 4.748 ( 0.000 5.774 -2.220) 6.186 4.963 ( 0.000 -9.558 3.382) 10.138 5.074 ( 0.000 15.748 0.875) 15.772 5.536 ( 0.000 -19.662 5.424) 20.396 5.845 ( 0.000 -11.797 -6.367) 13.405 6.418 ( 0.000 5.480 18.523) 19.317 6.735 ( 0.000 -8.115 16.125) 18.052 7.034 ( 0.000 6.934 -1.484) 7.091 7.509 ( 0.000 -8.603 -7.451) 11.381 7.619 ( 0.000 6.124 12.941) 14.317 8.055 ( 0.000 -9.554 2.715) 9.932 8.418 ( 0.000 9.970 6.028) 11.650 8.848 ( 0.000 15.445 -1.002) 15.477 9.197 ( 0.000 -19.964 11.448) 23.014 9.697 ( 0.000 -17.947 -0.726) 17.962 10.054 ( 0.000 2.810 -10.527) 10.896 10.232 ( 0.000 -2.795 -10.612) 10.973 10.348 ( 0.000 22.667 10.420) 24.948 10.662 ( 0.000 6.832 -2.797) 7.383 10.862 ( 0.000 -3.553 -1.424) 3.828 11.097 ( 0.000 -3.135 1.824) 3.627 11.212 ( 0.000 5.033 10.947) 12.049 11.415 ( 0.000 -2.566 10.335) 10.649 11.751 ( 0.000 2.507 -12.401) 12.652 12.010 ( 0.000 -5.368 -6.490) 8.422 12.200 ( 0.000 2.469 -10.784) 11.063 12.392 ( 0.000 -1.945 -7.697) 7.939 12.403 ( 0.000 -3.661 0.332) 3.676 12.569 ( 0.000 -7.507 -11.117) 13.414 12.704 ( 0.000 8.740 -5.636) 10.399 12.789 ( 0.000 0.530 -7.411) 7.430 12.855 ( 0.000 2.529 3.746) 4.520 13.159 ( 0.000 11.240 2.730) 11.567 13.478 ( 0.000 -9.788 3.003) 10.238 13.731 ( 0.000 -5.437 -9.634) 11.063 13.813 ( 0.000 5.173 -4.542) 6.884 14.140 ( 0.000 -4.528 -4.231) 6.197 14.185 ( 0.000 7.577 11.015) 13.369 14.517 ( 0.000 -1.020 2.325) 2.539 14.530 ( 0.000 5.235 5.318) 7.463 14.716 ( 0.000 -7.609 4.808) 9.001 15.181 ( 0.000 4.484 2.872) 5.325 15.373 ( 0.000 -1.174 -3.938) 4.109 15.409 ( 0.000 -4.966 -7.479) 8.978 15.435 ( 0.000 -4.350 -6.870) 8.131 16.059 ( 0.000 7.581 14.520) 16.380 16.272 ( 0.000 1.975 6.149) 6.458 16.700 ( 0.000 -1.185 8.811) 8.891 16.859 ( 0.000 -4.930 9.755) 10.930 17.394 ( 0.000 -1.276 -6.154) 6.285 17.502 ( 0.000 -2.296 -5.244) 5.725 17.572 ( 0.000 0.789 -2.624) 2.740 17.844 ( 0.000 0.031 6.317) 6.317 18.030 ( 0.000 -8.176 -7.390) 11.021 18.236 ( 0.000 -3.873 -4.633) 6.039 18.774 ( 0.000 11.583 -10.481) 15.621 18.872 ( 0.000 3.342 -8.067) 8.732 22.430 ( 0.000 3.267 11.113) 11.584 22.617 ( 0.000 -3.411 16.287) 16.640 23.690 ( 0.000 4.678 -6.378) 7.909 24.066 ( 0.000 -10.099 -10.328) 14.445 24.723 ( 0.000 1.426 1.128) 1.818 24.790 ( 0.000 -1.022 0.417) 1.104 25.071 ( 0.000 8.048 -3.551) 8.796 25.372 ( 0.000 -3.915 -5.878) 7.063======================= Grid point 177 (62/108) =======================q-point: ( 0.09 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.540 ( 6.532 6.425 23.795) 25.498 2.737 ( -5.448 0.585 28.320) 28.845 3.063 ( -0.716 -0.087 15.351) 15.368 3.182 ( -8.345 1.248 4.462) 9.545 3.697 ( 12.761 6.495 -3.408) 14.719 3.764 ( 8.961 -9.021 11.653) 17.247 4.371 ( -3.927 9.694 13.896) 17.393 4.609 ( -10.199 5.190 -8.488) 14.248 4.966 ( -1.626 6.931 8.406) 11.016 5.210 ( 9.690 0.609 1.399) 9.810 5.493 ( -4.324 -18.166 0.466) 18.680 5.759 ( -8.355 -10.281 -6.842) 14.910 6.567 ( 14.232 3.812 16.212) 21.906 6.824 ( 7.558 -6.382 11.123) 14.886 7.071 ( 3.718 6.930 -2.134) 8.148 7.505 ( -3.566 1.254 16.511) 16.939 7.581 ( 1.379 -3.026 -4.575) 5.656 8.049 ( -0.194 -7.605 2.452) 7.993 8.479 ( 5.086 8.038 5.308) 10.893 8.832 ( -1.317 14.121 0.365) 14.187 9.284 ( 7.690 -16.630 10.321) 21.029 9.659 ( -3.711 -17.830 -0.027) 18.212 10.030 ( -1.943 0.263 -10.978) 11.151 10.214 ( -2.917 6.070 -3.953) 7.809 10.327 ( -1.384 6.820 3.178) 7.650 10.502 ( -9.706 8.699 -1.609) 13.133 10.933 ( -13.829 -1.266 4.057) 14.467 10.970 ( 2.217 -4.391 2.563) 5.546 11.134 ( 1.489 2.266 2.593) 3.751 11.596 ( 7.778 -3.519 8.746) 12.222 11.718 ( -3.689 5.004 -10.804) 12.465 11.903 ( -12.958 5.877 -6.175) 15.511 11.928 ( -6.908 2.178 -8.112) 10.875 12.341 ( -1.257 -7.791 -4.658) 9.164 12.515 ( -2.675 -4.417 -5.380) 7.457 12.721 ( 11.674 -0.278 -9.974) 15.357 12.800 ( 6.460 6.238 4.802) 10.184 12.821 ( -0.267 2.014 0.243) 2.046 12.875 ( 4.549 -1.413 -7.893) 9.219 13.138 ( -8.197 4.148 -8.316) 12.391 13.358 ( 4.497 -0.058 2.240) 5.024 13.743 ( -0.824 -0.756 -5.062) 5.184 14.009 ( 8.347 -2.218 2.871) 9.101 14.150 ( 0.717 -4.059 -2.092) 4.622 14.219 ( 4.260 3.912 7.108) 9.164 14.510 ( 0.029 3.945 4.441) 5.941 14.542 ( 2.025 -0.058 0.009) 2.026 14.730 ( 2.662 -5.657 2.393) 6.695 15.114 ( -6.411 4.955 2.432) 8.460 15.339 ( -4.295 0.180 -1.136) 4.447 15.425 ( 3.235 -5.092 -9.014) 10.846 15.479 ( 2.382 -4.754 -7.191) 8.943 15.959 ( -6.584 3.710 10.422) 12.874 16.197 ( -9.178 2.239 6.203) 11.301 16.650 ( -4.129 0.189 5.434) 6.827 16.855 ( -2.684 0.771 3.805) 4.720 17.119 ( -14.104 -2.227 2.621) 14.518 17.208 ( -21.161 1.065 -3.542) 21.482 17.416 ( -9.183 -3.480 -9.004) 13.323 17.923 ( -7.481 -11.636 -5.690) 14.958 18.275 ( 22.376 1.025 -0.716) 22.411 18.499 ( 16.958 -0.578 -3.530) 17.331 18.690 ( -2.810 7.569 -8.232) 11.530 18.959 ( 4.181 3.417 -4.954) 7.328 22.187 ( -16.784 1.309 11.731) 20.519 22.688 ( -1.257 -0.094 18.019) 18.063 23.263 ( -24.637 0.850 -5.367) 25.229 24.230 ( 0.625 -7.119 -11.477) 13.520 24.734 ( 6.891 0.579 -4.367) 8.179 24.875 ( 3.457 6.276 -0.730) 7.202 25.130 ( 6.098 -1.089 -1.898) 6.479 25.422 ( 3.719 -1.050 -4.654) 6.050======================= Grid point 178 (63/108) =======================q-point: ( 0.18 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.446 ( -7.459 0.764 20.485) 21.814 2.901 ( 14.113 11.867 20.339) 27.453 3.018 ( -1.456 -4.701 6.912) 8.484 3.227 ( 8.671 2.967 9.089) 12.908 3.717 ( -5.005 -4.872 4.809) 8.480 4.026 ( 13.761 4.184 -4.236) 14.994 4.317 ( -8.465 6.476 0.503) 10.670 4.431 ( -1.715 1.549 3.597) 4.276 4.952 ( 0.905 5.435 10.322) 11.701 5.329 ( -0.082 -2.467 -3.463) 4.253 5.377 ( -6.589 -12.639 -4.778) 15.033 5.527 ( -12.672 -7.574 -5.563) 15.776 6.922 ( 17.549 -1.059 8.848) 19.682 6.996 ( 9.298 -3.785 5.340) 11.370 7.185 ( 7.555 5.702 -3.899) 10.237 7.444 ( 0.497 5.574 29.628) 30.152 7.688 ( 7.938 -2.857 -11.464) 14.234 8.068 ( 2.512 -4.902 5.010) 7.446 8.588 ( 5.278 5.929 3.609) 8.719 8.812 ( -0.182 9.233 2.243) 9.503 9.454 ( 7.279 -9.555 10.425) 15.904 9.552 ( -6.150 -14.800 1.946) 16.144 9.985 ( -2.548 -1.958 -12.920) 13.314 10.122 ( -7.105 2.388 -3.073) 8.100 10.226 ( -6.242 3.840 5.700) 9.285 10.371 ( -5.088 6.681 -0.468) 8.410 10.671 ( -10.132 -1.189 -0.603) 10.220 10.957 ( -0.043 -6.862 4.904) 8.435 11.192 ( -0.633 1.685 -1.848) 2.580 11.559 ( -8.863 5.672 -9.256) 14.014 11.610 ( -2.360 -0.896 1.538) 2.956 11.687 ( -6.370 9.159 -5.823) 12.585 12.008 ( 8.034 3.146 -0.199) 8.630 12.318 ( -2.392 -8.718 1.904) 9.239 12.475 ( -0.689 -2.107 -12.925) 13.114 12.650 ( -10.814 4.798 -1.939) 11.988 12.779 ( -1.314 0.439 -3.965) 4.200 12.858 ( -2.698 2.061 -2.186) 4.038 12.985 ( -2.932 0.169 7.429) 7.988 13.173 ( 15.457 -4.541 -8.328) 18.136 13.517 ( 5.660 3.712 -10.092) 12.152 13.746 ( 1.852 0.835 -5.156) 5.542 14.033 ( -1.881 -1.850 5.144) 5.781 14.164 ( -0.404 -0.769 -4.059) 4.151 14.257 ( -1.398 2.923 9.479) 10.018 14.521 ( -0.414 -2.823 7.809) 8.314 14.612 ( 3.522 0.602 2.388) 4.298 14.879 ( 3.430 -4.007 0.028) 5.274 15.003 ( 5.049 6.267 -10.666) 13.361 15.174 ( -11.180 2.206 3.775) 12.005 15.468 ( -1.147 -6.129 -9.194) 11.109 15.564 ( 7.099 -3.795 -5.995) 10.037 15.843 ( -7.430 -7.333 -0.322) 10.444 16.022 ( -1.725 9.354 2.635) 9.870 16.500 ( -27.494 11.451 -16.176) 33.893 16.521 ( -9.280 2.245 -1.049) 9.605 16.958 ( -4.490 -1.534 5.616) 7.352 17.013 ( 0.239 -6.042 7.896) 9.945 17.209 ( -10.425 -8.643 -12.343) 18.323 17.680 ( -16.025 -4.437 -11.561) 20.252 18.602 ( 10.858 3.121 1.166) 11.357 18.670 ( 1.148 2.539 1.567) 3.197 18.836 ( 13.175 -0.669 -2.338) 13.398 19.003 ( 0.318 0.366 -0.670) 0.826 21.819 ( -19.069 2.645 13.533) 23.532 22.477 ( -18.535 -0.533 22.277) 28.985 22.897 ( -10.343 0.152 -10.912) 15.036 24.173 ( -4.408 -5.759 -12.920) 14.816 24.799 ( 1.782 9.016 -5.864) 10.901 25.017 ( 7.130 -2.836 -4.914) 9.112 25.253 ( 4.735 -3.456 -0.887) 5.928 25.481 ( 1.617 1.388 -3.305) 3.932======================= Grid point 179 (64/108) =======================q-point: ( 0.27 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.420 ( 5.559 1.190 3.886) 6.886 2.900 ( -3.930 -2.195 10.698) 11.607 3.317 ( 18.661 7.249 5.843) 20.855 3.386 ( 6.889 6.544 5.378) 10.918 3.599 ( -7.774 1.442 -6.281) 10.098 4.166 ( -1.156 -6.822 9.134) 11.458 4.237 ( 4.548 4.720 -5.223) 8.381 4.429 ( -0.411 4.216 8.558) 9.549 4.976 ( -1.617 1.959 -4.724) 5.363 5.132 ( -11.976 -6.359 -6.114) 14.874 5.249 ( -5.520 -2.354 -6.320) 8.715 5.380 ( -4.403 -7.192 4.540) 9.577 7.148 ( 8.336 -3.472 0.331) 9.036 7.220 ( 8.236 -3.055 2.360) 9.096 7.405 ( 14.439 2.360 4.772) 15.390 7.541 ( 7.870 6.167 17.995) 20.586 7.877 ( 9.333 2.447 -10.874) 14.537 8.158 ( 6.180 -2.794 11.887) 13.686 8.699 ( 5.769 3.181 1.961) 6.874 8.842 ( 3.748 1.789 1.936) 4.582 9.412 ( -5.743 -13.135 8.821) 16.832 9.551 ( -0.182 2.673 8.022) 8.458 9.895 ( -8.120 2.881 -1.087) 8.684 9.955 ( -3.998 1.463 -6.445) 7.724 10.177 ( -5.978 0.574 2.520) 6.513 10.217 ( -3.343 -4.182 1.990) 5.712 10.536 ( -4.787 1.664 -7.247) 8.843 10.969 ( -2.240 -3.250 0.629) 3.997 11.111 ( -2.250 -1.902 -2.503) 3.866 11.416 ( -5.010 8.163 -8.712) 12.948 11.522 ( -4.817 9.084 5.261) 11.550 11.706 ( 4.823 -0.857 -7.993) 9.375 12.078 ( -2.158 -6.792 4.427) 8.389 12.284 ( -0.069 -1.273 4.371) 4.553 12.354 ( -9.419 -0.131 -11.973) 15.235 12.561 ( 0.841 2.815 -4.896) 5.710 12.721 ( -3.547 -5.059 6.063) 8.657 12.790 ( -2.331 2.710 -6.820) 7.700 12.933 ( -4.180 3.222 1.699) 5.544 13.355 ( 0.446 -10.756 -8.185) 13.523 13.590 ( 4.124 3.788 -9.988) 11.451 13.804 ( 2.653 1.633 -11.779) 12.184 14.027 ( 1.590 -1.287 0.821) 2.204 14.145 ( -0.924 3.640 -7.403) 8.301 14.219 ( -0.206 4.029 6.143) 7.349 14.446 ( -6.977 -1.625 3.042) 7.783 14.651 ( -0.811 4.970 3.161) 5.946 14.803 ( -4.335 -1.362 -0.936) 4.640 14.946 ( -8.468 4.255 7.101) 11.842 15.303 ( 12.913 -6.137 -14.885) 20.640 15.411 ( -3.182 -8.633 -6.223) 11.108 15.595 ( -13.735 4.985 -9.289) 17.314 15.750 ( 5.255 -1.726 -7.153) 9.042 16.055 ( -11.617 10.048 -10.447) 18.576 16.089 ( 4.430 3.334 -4.058) 6.870 16.335 ( -4.555 -5.894 -6.546) 9.916 16.882 ( -4.112 -1.234 1.418) 4.521 16.995 ( -9.975 -5.717 -13.751) 17.924 17.024 ( -1.006 -4.470 4.354) 6.320 17.327 ( -17.112 2.051 -13.411) 21.838 18.639 ( -3.717 -0.169 10.115) 10.778 18.801 ( 9.523 3.887 5.379) 11.607 18.943 ( -3.383 -2.295 2.123) 4.607 19.080 ( 7.766 -0.162 -2.912) 8.296 21.433 ( -18.168 4.651 18.405) 26.277 22.020 ( -24.282 -3.239 25.677) 35.489 22.832 ( 2.946 -0.272 -17.888) 18.131 24.031 ( -9.818 -1.622 -16.360) 19.148 24.877 ( 5.281 3.668 -4.004) 7.575 25.108 ( 2.696 -0.980 -6.623) 7.217 25.302 ( -0.012 -3.939 -0.971) 4.057 25.483 ( -1.203 2.539 -3.454) 4.453======================= Grid point 180 (65/108) =======================q-point: ( 0.36 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 16.570 0.572 -10.546) 19.649 2.844 ( -0.519 -2.058 0.105) 2.125 3.304 ( -14.110 -0.973 -13.165) 19.322 3.527 ( 6.393 3.414 4.447) 8.503 3.759 ( 19.507 9.160 3.018) 21.761 4.128 ( -7.654 6.708 1.236) 10.253 4.181 ( -11.046 2.689 -0.750) 11.393 4.485 ( 10.003 -8.896 7.556) 15.372 4.811 ( -10.244 -4.641 -3.270) 11.712 5.049 ( -0.217 4.187 -7.822) 8.875 5.192 ( -0.967 1.252 0.736) 1.745 5.281 ( -4.721 -8.163 5.483) 10.908 7.301 ( 6.206 -2.667 -5.015) 8.412 7.346 ( 5.251 -5.601 -0.911) 7.731 7.687 ( 9.335 7.024 -11.717) 16.546 7.736 ( 13.042 3.137 26.564) 29.759 8.007 ( 3.422 1.397 -7.096) 8.001 8.292 ( 5.474 -1.643 18.696) 19.550 8.813 ( 5.685 -4.083 2.183) 7.332 9.002 ( 11.843 0.783 1.266) 11.936 9.289 ( -7.698 -6.561 13.212) 16.639 9.496 ( -2.056 5.121 5.625) 7.880 9.760 ( -5.685 5.305 2.817) 8.270 9.892 ( -3.434 2.892 -2.405) 5.094 10.014 ( -5.044 -0.314 6.493) 8.228 10.188 ( -5.396 -7.409 0.696) 9.192 10.467 ( -0.219 1.990 -8.817) 9.042 10.820 ( -9.297 2.947 -8.071) 12.659 11.171 ( 5.007 -3.159 -0.637) 5.954 11.366 ( -0.073 5.875 -5.690) 8.179 11.443 ( -3.052 5.224 2.923) 6.720 11.735 ( -3.969 -5.056 -7.079) 9.562 12.039 ( 1.147 -3.972 8.200) 9.183 12.161 ( -5.642 -3.980 -4.484) 8.233 12.342 ( 1.510 4.913 -3.703) 6.335 12.558 ( 0.006 -1.076 9.364) 9.425 12.652 ( -6.129 0.198 7.826) 9.943 12.767 ( -1.433 1.537 -6.365) 6.703 12.846 ( 0.460 0.117 -17.908) 17.914 13.269 ( -6.076 -14.666 -12.987) 20.510 13.638 ( -2.209 4.803 -8.394) 9.920 13.839 ( 1.877 -2.760 -18.214) 18.517 14.030 ( -2.854 0.691 -7.562) 8.112 14.162 ( 4.352 8.544 -6.782) 11.745 14.245 ( -4.141 4.074 -5.058) 7.703 14.355 ( 4.072 5.711 -1.662) 7.208 14.575 ( -5.149 1.308 -1.644) 5.561 14.682 ( -6.195 0.494 1.122) 6.316 14.886 ( 1.318 2.845 2.051) 3.747 15.171 ( -15.784 3.275 -8.287) 18.126 15.328 ( -6.395 -3.044 -5.318) 8.856 15.508 ( 0.230 -3.834 -4.557) 5.960 15.834 ( -4.563 -7.939 -3.456) 9.787 15.928 ( 4.994 -2.192 -11.315) 12.561 16.238 ( 10.384 -5.450 -12.242) 16.953 16.412 ( 8.112 0.259 -6.245) 10.240 16.751 ( -7.066 0.985 -8.765) 11.301 16.846 ( -4.403 4.570 -8.438) 10.558 16.937 ( -9.129 0.975 -8.678) 12.633 17.054 ( -8.314 -1.321 -1.341) 8.524 18.560 ( -2.866 -0.845 12.622) 12.970 18.831 ( -7.045 -1.993 4.978) 8.854 18.990 ( 8.592 3.445 6.753) 11.458 19.191 ( 3.013 -1.224 -4.605) 5.637 21.125 ( -10.847 4.869 25.006) 27.689 21.550 ( -21.028 -4.260 28.141) 35.387 22.974 ( 10.097 -0.085 -20.658) 22.994 23.788 ( -13.577 0.811 -18.095) 22.637 24.973 ( 3.731 -2.512 -2.300) 5.052 25.167 ( 3.227 2.054 -6.869) 7.862 25.261 ( -3.119 -3.390 -2.313) 5.155 25.443 ( -2.560 3.088 -5.395) 6.723======================= Grid point 181 (66/108) =======================q-point: ( 0.45 0.25 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.861 ( 5.188 -2.519 -7.990) 9.854 3.018 ( -6.450 -3.415 -11.913) 13.971 3.109 ( 17.672 0.267 -19.570) 26.370 3.520 ( -13.501 -1.829 -12.825) 18.711 3.900 ( -2.197 9.913 0.713) 10.178 4.001 ( -7.727 6.953 10.982) 15.122 4.162 ( 18.925 6.382 -0.335) 19.975 4.525 ( -15.825 0.876 -1.449) 15.915 4.770 ( 13.608 -10.402 9.186) 19.436 5.012 ( -8.210 -7.888 3.692) 11.969 5.169 ( 2.393 3.983 -2.606) 5.327 5.228 ( -2.060 1.169 1.671) 2.899 7.397 ( 3.289 -4.560 -6.432) 8.543 7.421 ( 1.357 -5.456 -4.107) 6.962 7.825 ( 5.325 7.937 -9.780) 13.675 7.897 ( -0.321 6.336 -4.784) 7.946 8.130 ( 10.684 -2.390 19.805) 22.630 8.310 ( -4.668 -2.443 20.889) 21.543 8.951 ( 7.860 -6.543 6.550) 12.145 9.115 ( -8.157 -5.125 12.102) 15.468 9.266 ( 12.277 5.202 2.853) 13.636 9.453 ( -5.105 6.194 6.156) 10.115 9.686 ( 1.153 1.544 -1.016) 2.179 9.797 ( -6.612 2.597 0.445) 7.118 9.977 ( 0.634 0.028 7.862) 7.888 10.040 ( -5.943 -4.236 6.355) 9.678 10.523 ( 4.647 2.183 -9.167) 10.507 10.646 ( -7.457 3.471 -9.160) 12.311 11.262 ( 3.911 -0.162 -2.282) 4.531 11.340 ( -3.577 0.871 0.999) 3.815 11.458 ( 5.238 -0.535 -5.213) 7.409 11.596 ( -7.721 -3.678 -6.114) 10.513 12.094 ( 2.513 -1.758 5.376) 6.189 12.113 ( -0.051 -2.270 5.234) 5.705 12.355 ( 1.345 3.262 -5.085) 6.189 12.464 ( -9.322 2.331 -1.827) 9.781 12.613 ( 4.845 0.416 9.714) 10.863 12.711 ( -3.958 -0.030 5.506) 6.781 12.978 ( 9.323 -5.429 -23.579) 25.930 13.148 ( -6.564 -12.908 -19.975) 24.672 13.581 ( 1.576 7.213 -16.762) 18.316 13.756 ( -11.881 6.242 -19.127) 23.365 14.017 ( 4.557 -0.070 -15.405) 16.065 14.132 ( -5.689 -2.156 -10.588) 12.211 14.302 ( 8.162 3.671 -2.036) 9.178 14.444 ( -1.506 7.020 1.229) 7.284 14.497 ( 0.070 2.793 -11.060) 11.407 14.566 ( -4.781 6.459 -8.107) 11.415 15.000 ( 9.175 -1.083 1.844) 9.421 15.017 ( 0.561 -0.396 -2.582) 2.672 15.166 ( -6.951 3.383 -1.364) 7.850 15.324 ( -14.606 -2.661 7.318) 16.552 15.867 ( 6.239 -18.521 -11.737) 22.797 15.975 ( -2.414 -12.652 -10.679) 16.732 16.457 ( 10.343 0.177 -11.509) 15.474 16.577 ( 7.457 3.422 -9.875) 12.839 16.636 ( -6.311 5.152 -7.245) 10.903 16.735 ( -8.462 7.243 -11.386) 15.928 16.818 ( 2.364 2.326 -6.243) 7.069 16.919 ( -6.252 -2.247 0.136) 6.645 18.558 ( 3.057 -1.009 10.624) 11.101 18.675 ( -7.608 -1.130 7.235) 10.560 19.135 ( 5.372 1.546 3.286) 6.485 19.205 ( -1.514 -0.853 -1.962) 2.621 21.031 ( 1.976 2.195 29.402) 29.550 21.194 ( -13.415 -1.865 29.853) 32.782 23.215 ( 13.263 0.621 -20.307) 24.263 23.499 ( -14.402 1.229 -19.180) 24.016 25.044 ( 3.861 -4.493 -1.142) 6.033 25.137 ( -4.875 -4.381 -0.686) 6.589 25.290 ( 4.668 3.760 -9.100) 10.896 25.379 ( -3.819 3.399 -7.775) 9.305======================= Grid point 187 (67/108) =======================q-point: ( 0.00 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 90Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.630 ( 0.000 -6.803 22.493) 23.499 2.630 ( 0.000 6.803 22.493) 23.499 3.293 ( 0.000 -5.853 25.754) 26.411 3.293 ( 0.000 5.853 25.754) 26.411 3.541 ( 0.000 -1.449 -8.205) 8.332 3.541 ( 0.000 1.449 -8.205) 8.332 4.717 ( 0.000 -9.916 5.794) 11.484 4.717 ( 0.000 9.916 5.794) 11.484 5.058 ( 0.000 -20.877 8.184) 22.424 5.058 ( 0.000 20.877 8.184) 22.424 5.478 ( 0.000 -18.978 -3.130) 19.235 5.478 ( 0.000 18.978 -3.130) 19.235 6.560 ( 0.000 -6.926 19.062) 20.282 6.560 ( 0.000 6.926 19.062) 20.282 7.255 ( 0.000 -12.138 -7.012) 14.018 7.255 ( 0.000 12.138 -7.012) 14.018 7.815 ( 0.000 -10.186 9.408) 13.866 7.815 ( 0.000 10.186 9.408) 13.866 8.754 ( 0.000 -18.349 9.118) 20.490 8.754 ( 0.000 18.349 9.118) 20.490 9.257 ( 0.000 -20.293 -2.532) 20.450 9.257 ( 0.000 20.293 -2.532) 20.450 10.143 ( 0.000 -3.967 -11.156) 11.840 10.143 ( 0.000 3.967 -11.156) 11.840 10.781 ( 0.000 -2.583 -2.499) 3.594 10.781 ( 0.000 2.583 -2.499) 3.594 10.838 ( 0.000 -19.046 8.191) 20.732 10.838 ( 0.000 19.046 8.191) 20.732 11.331 ( 0.000 -2.773 7.110) 7.632 11.331 ( 0.000 2.773 7.110) 7.632 11.858 ( 0.000 -6.920 -5.078) 8.584 11.858 ( 0.000 6.920 -5.078) 8.584 12.352 ( 0.000 -9.742 -12.698) 16.005 12.352 ( 0.000 9.742 -12.698) 16.005 12.367 ( 0.000 -0.000 -1.145) 1.145 12.367 ( 0.000 0.000 -1.145) 1.145 12.812 ( 0.000 -0.001 -11.232) 11.232 12.812 ( 0.000 0.001 -11.232) 11.232 13.063 ( 0.000 -13.779 12.645) 18.702 13.063 ( 0.000 13.779 12.645) 18.702 13.532 ( 0.000 -9.264 -10.371) 13.906 13.532 ( 0.000 9.264 -10.371) 13.906 13.985 ( 0.000 -8.737 -3.676) 9.479 13.985 ( 0.000 8.737 -3.676) 9.479 14.389 ( 0.000 -9.215 6.411) 11.226 14.389 ( 0.000 9.215 6.411) 11.226 14.624 ( 0.000 -2.290 4.542) 5.087 14.624 ( 0.000 2.290 4.542) 5.087 15.293 ( 0.000 -4.489 -3.160) 5.490 15.293 ( 0.000 4.489 -3.160) 5.490 15.361 ( 0.000 -1.392 -3.451) 3.721 15.361 ( 0.000 1.392 -3.451) 3.721 16.228 ( 0.000 -5.362 11.023) 12.258 16.228 ( 0.000 5.362 11.023) 12.258 16.735 ( 0.000 -4.812 8.870) 10.091 16.735 ( 0.000 4.812 8.870) 10.091 17.430 ( 0.000 -2.085 -5.919) 6.275 17.430 ( 0.000 2.085 -5.919) 6.275 17.658 ( 0.000 -5.071 0.007) 5.071 17.658 ( 0.000 5.071 0.007) 5.071 18.117 ( 0.000 -4.865 -3.725) 6.127 18.117 ( 0.000 4.865 -3.725) 6.127 18.910 ( 0.000 -0.402 -10.009) 10.017 18.910 ( 0.000 0.402 -10.009) 10.017 22.522 ( 0.000 -2.652 13.618) 13.874 22.522 ( 0.000 2.652 13.618) 13.874 23.843 ( 0.000 -5.069 -7.485) 9.040 23.843 ( 0.000 5.069 -7.485) 9.040 24.759 ( 0.000 -0.462 0.667) 0.812 24.759 ( 0.000 0.462 0.667) 0.812 25.247 ( 0.000 -6.101 -5.281) 8.069 25.247 ( 0.000 6.101 -5.281) 8.069======================= Grid point 189 (68/108) =======================q-point: ( 0.09 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.623 ( -5.130 0.000 25.489) 26.001 2.731 ( 10.724 -0.000 18.543) 21.421 3.100 ( -1.370 -0.000 17.638) 17.691 3.182 ( -10.522 0.000 13.745) 17.310 3.649 ( 6.026 0.000 7.746) 9.813 3.805 ( 14.781 0.000 -9.085) 17.349 4.469 ( -7.539 0.000 10.982) 13.321 4.748 ( -11.481 0.000 -6.873) 13.381 5.080 ( 1.399 -0.000 12.972) 13.047 5.122 ( 5.888 0.000 5.076) 7.774 5.389 ( -3.647 0.000 2.961) 4.698 5.488 ( -3.520 0.000 -9.491) 10.123 6.635 ( 10.545 0.000 21.091) 23.580 6.718 ( 10.263 -0.000 10.623) 14.771 7.239 ( 0.765 -0.000 -8.350) 8.385 7.369 ( 8.888 0.000 -5.185) 10.290 7.641 ( -8.135 0.000 19.132) 20.790 7.925 ( 3.595 0.000 2.849) 4.587 8.650 ( -1.215 -0.000 9.569) 9.646 9.007 ( 14.527 0.000 7.303) 16.260 9.190 ( -5.164 0.000 -3.661) 6.329 9.262 ( -0.335 -0.000 0.621) 0.705 10.034 ( -4.822 0.000 -10.913) 11.931 10.246 ( 3.532 0.000 -10.647) 11.217 10.457 ( -15.841 0.000 4.573) 16.488 10.736 ( -6.318 0.000 4.003) 7.480 10.756 ( -7.781 -0.000 0.880) 7.830 10.943 ( -5.874 0.000 4.973) 7.696 11.165 ( 3.174 0.000 0.476) 3.210 11.547 ( 5.799 0.000 7.770) 9.696 11.852 ( -4.343 -0.000 -3.460) 5.552 11.872 ( 2.744 0.000 -8.716) 9.138 12.024 ( -13.195 0.000 -10.656) 16.961 12.230 ( -3.168 -0.000 -4.896) 5.831 12.460 ( -0.418 0.000 -6.877) 6.890 12.689 ( 19.912 0.000 -2.870) 20.118 12.847 ( -1.704 0.000 -1.219) 2.095 12.857 ( 3.073 0.000 -9.797) 10.268 12.951 ( 1.209 0.000 13.136) 13.191 13.105 ( -17.030 -0.000 -9.013) 19.268 13.445 ( 16.586 -0.000 -1.337) 16.640 13.659 ( -0.738 0.000 -7.570) 7.606 14.032 ( 4.191 0.000 -3.206) 5.276 14.042 ( 0.731 -0.000 2.168) 2.288 14.306 ( -1.488 0.000 2.272) 2.716 14.528 ( 7.577 0.000 7.520) 10.676 14.595 ( -2.709 0.000 5.971) 6.557 14.628 ( 2.622 0.000 -0.848) 2.755 15.220 ( -4.292 0.000 -1.929) 4.706 15.303 ( -3.896 -0.000 0.981) 4.018 15.363 ( 4.350 -0.000 -6.738) 8.020 15.406 ( 1.793 0.000 -6.691) 6.927 15.998 ( -13.470 0.000 10.562) 17.117 16.227 ( -6.514 0.000 6.438) 9.158 16.721 ( -0.120 0.000 4.289) 4.290 16.772 ( 1.781 -0.000 11.422) 11.560 17.118 ( -13.743 0.000 1.595) 13.835 17.262 ( -22.230 0.000 -16.628) 27.761 17.327 ( -15.425 -0.000 -2.944) 15.704 17.776 ( -2.705 0.000 -2.799) 3.893 18.304 ( 20.807 0.000 -1.404) 20.854 18.485 ( 19.043 0.000 -2.488) 19.204 18.773 ( -5.564 0.000 -7.964) 9.715 19.006 ( 2.298 0.000 -6.503) 6.897 22.206 ( -16.664 0.000 11.931) 20.494 22.686 ( -0.037 0.000 17.513) 17.513 23.276 ( -25.533 0.000 -6.008) 26.231 24.141 ( 0.876 0.000 -9.994) 10.032 24.722 ( 10.091 0.000 -3.041) 10.539 25.010 ( 11.218 0.000 0.278) 11.221 25.075 ( -7.609 0.000 -5.558) 9.422 25.408 ( 6.543 0.000 -4.102) 7.722======================= Grid point 191 (69/108) =======================q-point: ( 0.18 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.457 ( -6.882 0.000 18.180) 19.439 2.961 ( -1.531 0.000 9.013) 9.142 3.084 ( 13.092 0.000 17.231) 21.641 3.250 ( 12.085 0.000 13.142) 17.854 3.662 ( -1.916 0.000 9.132) 9.331 4.068 ( 7.924 0.000 -10.800) 13.395 4.436 ( -14.782 0.000 -8.321) 16.963 4.441 ( 2.806 0.000 11.525) 11.862 5.104 ( -5.314 0.000 1.982) 5.672 5.132 ( 3.366 -0.000 8.869) 9.486 5.320 ( -12.790 0.000 -14.881) 19.622 5.370 ( -0.964 -0.000 3.465) 3.596 6.920 ( 9.132 0.000 5.149) 10.484 6.929 ( 16.356 -0.000 16.827) 23.466 7.277 ( 3.207 0.000 -7.295) 7.968 7.547 ( -0.124 0.000 20.635) 20.636 7.617 ( 14.876 0.000 -4.290) 15.483 7.997 ( 4.223 0.000 3.072) 5.222 8.671 ( 2.527 0.000 6.196) 6.692 9.050 ( -8.216 0.000 -2.935) 8.725 9.199 ( 1.227 0.000 10.643) 10.713 9.370 ( 13.477 0.000 1.318) 13.542 9.953 ( -3.141 0.000 -11.312) 11.740 10.163 ( -10.920 0.000 -3.190) 11.377 10.270 ( -3.815 0.000 2.000) 4.308 10.489 ( -15.840 0.000 8.134) 17.806 10.620 ( -4.100 0.000 -3.837) 5.615 10.870 ( 0.296 -0.000 0.543) 0.619 11.216 ( -1.778 0.000 -1.639) 2.418 11.592 ( 0.174 0.000 5.341) 5.344 11.666 ( -7.232 0.000 -10.437) 12.697 11.864 ( -5.233 0.000 -9.050) 10.454 11.937 ( -0.303 0.000 3.172) 3.187 12.241 ( 3.083 0.000 -2.377) 3.894 12.444 ( -1.038 0.000 -13.553) 13.593 12.737 ( -6.704 0.000 7.586) 10.124 12.751 ( -13.585 -0.000 -5.999) 14.850 12.885 ( -0.909 0.000 -6.034) 6.103 12.981 ( 3.001 0.000 -2.487) 3.898 13.129 ( 14.626 0.000 2.613) 14.857 13.607 ( -2.019 -0.000 -12.307) 12.471 13.758 ( 10.407 0.000 -5.585) 11.811 13.974 ( -3.888 0.000 10.726) 11.409 14.147 ( 6.784 0.000 -3.824) 7.788 14.250 ( -4.218 -0.000 5.398) 6.851 14.501 ( -5.402 0.000 6.362) 8.346 14.688 ( 5.644 0.000 7.345) 9.263 14.769 ( 7.724 -0.000 -5.147) 9.282 15.133 ( -2.900 0.000 -7.805) 8.327 15.190 ( -6.818 0.000 3.400) 7.618 15.400 ( -2.496 0.000 -8.223) 8.594 15.496 ( 8.989 0.000 -5.993) 10.803 15.752 ( -8.363 0.000 1.978) 8.594 16.135 ( 0.245 -0.000 0.132) 0.278 16.562 ( -18.842 0.000 -3.720) 19.206 16.730 ( -26.652 0.000 -16.676) 31.439 16.809 ( 0.650 0.000 4.523) 4.569 16.966 ( -1.540 -0.000 2.574) 2.999 17.080 ( -7.634 0.000 -4.142) 8.685 17.630 ( -11.484 0.000 -7.991) 13.990 18.644 ( 12.234 0.000 0.045) 12.234 18.703 ( -2.113 0.000 2.583) 3.337 18.826 ( 13.618 0.000 -1.679) 13.721 19.007 ( -1.612 0.000 -1.647) 2.305 21.857 ( -17.572 0.000 11.756) 21.142 22.469 ( -20.195 0.000 23.608) 31.067 22.899 ( -10.735 0.000 -11.806) 15.956 24.101 ( -2.430 0.000 -11.762) 12.011 24.933 ( 2.464 0.000 -10.050) 10.348 24.982 ( 3.729 0.000 -2.564) 4.526 25.183 ( 5.575 0.000 0.312) 5.584 25.500 ( 2.478 0.000 -3.339) 4.158======================= Grid point 193 (70/108) =======================q-point: ( 0.27 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.436 ( 5.503 0.000 3.212) 6.372 2.868 ( -4.060 0.000 8.656) 9.561 3.409 ( 11.885 0.000 4.016) 12.545 3.463 ( 4.409 -0.000 1.409) 4.628 3.722 ( 11.233 0.000 11.940) 16.393 3.958 ( -9.374 0.000 -0.716) 9.401 4.352 ( 0.342 0.000 -4.435) 4.448 4.500 ( 0.829 0.000 8.297) 8.338 4.996 ( -16.770 -0.000 -15.743) 23.002 5.044 ( 1.132 0.000 -0.320) 1.177 5.194 ( 1.695 -0.000 2.210) 2.785 5.282 ( -7.178 0.000 0.982) 7.245 7.098 ( 8.719 0.000 3.889) 9.547 7.193 ( 7.386 0.000 3.559) 8.199 7.428 ( 13.370 0.000 10.085) 16.747 7.632 ( 7.513 0.000 8.280) 11.181 7.910 ( 11.474 0.000 -11.584) 16.305 8.109 ( 7.312 0.000 12.909) 14.836 8.739 ( 3.382 0.000 1.736) 3.801 8.900 ( -4.019 0.000 -0.598) 4.063 9.214 ( 0.944 0.000 13.746) 13.779 9.592 ( 4.840 0.000 4.343) 6.503 9.901 ( -2.298 0.000 -10.421) 10.671 9.981 ( -5.271 0.000 -1.156) 5.396 10.181 ( -13.639 -0.000 9.745) 16.763 10.182 ( -3.661 0.000 2.245) 4.294 10.548 ( -3.928 0.000 -8.464) 9.331 10.927 ( 3.534 0.000 0.468) 3.565 11.101 ( -6.353 0.000 -4.402) 7.729 11.579 ( -1.506 0.000 0.037) 1.506 11.614 ( -0.220 -0.000 -6.951) 6.954 11.704 ( -9.352 0.000 -7.300) 11.864 11.946 ( 1.261 0.000 10.096) 10.175 12.232 ( -6.246 0.000 -4.360) 7.618 12.380 ( -1.208 0.000 -11.658) 11.721 12.594 ( -6.572 0.000 11.963) 13.649 12.671 ( 3.239 -0.000 -2.108) 3.865 12.842 ( -2.732 -0.000 -9.420) 9.808 12.953 ( -5.393 0.000 -2.281) 5.856 13.210 ( -5.447 0.000 -8.587) 10.169 13.675 ( 6.929 0.000 -16.688) 18.070 13.848 ( -1.047 0.000 -7.980) 8.049 13.957 ( 1.809 -0.000 8.102) 8.302 14.239 ( 5.360 0.000 5.932) 7.995 14.245 ( 1.688 -0.000 -5.395) 5.653 14.398 ( -4.318 0.000 5.625) 7.091 14.717 ( -1.559 -0.000 2.294) 2.774 14.777 ( -6.157 0.000 1.702) 6.387 15.023 ( -9.178 0.000 9.080) 12.910 15.192 ( 7.516 0.000 -18.292) 19.776 15.330 ( -4.037 0.000 -9.438) 10.265 15.716 ( 8.839 0.000 -2.642) 9.226 15.749 ( 9.285 0.000 -11.382) 14.689 16.014 ( -26.801 0.000 -8.575) 28.140 16.215 ( -21.287 0.000 -18.054) 27.912 16.265 ( 5.783 -0.000 -4.646) 7.418 16.821 ( -0.290 0.000 1.275) 1.308 16.932 ( -3.124 0.000 -0.642) 3.189 17.000 ( -1.643 0.000 -1.554) 2.262 17.344 ( -15.579 0.000 -12.331) 19.868 18.639 ( -4.444 0.000 11.927) 12.729 18.857 ( 9.778 0.000 4.333) 10.695 18.912 ( -4.126 0.000 1.154) 4.284 19.071 ( 7.184 0.000 -2.643) 7.655 21.504 ( -16.710 0.000 13.798) 21.671 21.969 ( -26.367 0.000 29.786) 39.779 22.828 ( 2.820 0.000 -18.773) 18.984 24.009 ( -7.491 0.000 -15.690) 17.386 24.926 ( 0.408 0.000 -3.026) 3.054 25.111 ( 5.713 0.000 -8.790) 10.483 25.236 ( -0.208 0.000 0.608) 0.643 25.514 ( -0.814 0.000 -4.022) 4.103======================= Grid point 195 (71/108) =======================q-point: ( 0.36 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.671 ( 16.788 0.000 -10.983) 20.061 2.810 ( -1.357 0.000 0.475) 1.438 3.292 ( -15.638 0.000 -14.867) 21.577 3.555 ( 4.061 -0.000 1.912) 4.488 4.021 ( 11.106 0.000 15.187) 18.814 4.059 ( 16.401 -0.000 4.413) 16.985 4.285 ( -5.582 0.000 2.510) 6.121 4.356 ( -13.010 -0.000 -9.545) 16.136 4.762 ( -5.865 0.000 5.154) 7.808 5.084 ( -6.653 0.000 -5.608) 8.701 5.154 ( 2.378 0.000 0.721) 2.484 5.213 ( 0.749 0.000 -3.194) 3.281 7.265 ( 7.001 0.000 1.742) 7.215 7.285 ( 3.222 0.000 -4.275) 5.353 7.752 ( 16.439 0.000 15.995) 22.937 7.803 ( 8.503 0.000 1.750) 8.681 8.022 ( 0.914 0.000 -14.240) 14.269 8.269 ( 5.523 0.000 19.198) 19.976 8.755 ( 1.666 0.000 2.950) 3.388 9.018 ( 13.219 0.000 0.566) 13.231 9.200 ( -3.980 0.000 16.094) 16.579 9.563 ( -3.246 0.000 3.967) 5.126 9.827 ( -6.012 0.000 -3.073) 6.752 9.971 ( 1.811 0.000 4.257) 4.626 9.979 ( -4.755 -0.000 5.418) 7.209 10.085 ( -8.522 0.000 1.542) 8.660 10.489 ( 0.037 0.000 -10.286) 10.286 10.861 ( -7.995 0.000 -8.056) 11.350 11.133 ( 6.947 0.000 1.494) 7.106 11.509 ( -9.047 -0.000 -1.616) 9.191 11.531 ( -3.074 0.000 -7.814) 8.397 11.583 ( -3.373 -0.000 -3.359) 4.760 11.991 ( 3.095 0.000 13.024) 13.387 12.111 ( -3.157 0.000 -2.804) 4.222 12.406 ( 1.403 0.000 -7.816) 7.941 12.503 ( -2.178 0.000 15.768) 15.918 12.710 ( -0.488 0.000 9.724) 9.736 12.788 ( -9.454 -0.000 -8.018) 12.397 12.835 ( 3.104 0.000 -25.844) 26.030 13.071 ( -6.198 0.000 -17.308) 18.384 13.743 ( -7.186 0.000 -11.307) 13.397 13.787 ( 3.849 -0.000 -13.228) 13.777 14.016 ( 2.964 0.000 1.864) 3.502 14.237 ( -3.757 0.000 -5.680) 6.810 14.332 ( 0.022 0.000 -2.571) 2.572 14.422 ( 8.407 0.000 -7.185) 11.059 14.634 ( -5.062 -0.000 1.395) 5.251 14.665 ( -3.556 0.000 6.125) 7.082 14.911 ( -0.054 0.000 -3.408) 3.408 15.187 ( -10.301 0.000 -16.719) 19.638 15.366 ( 6.587 -0.000 -11.870) 13.575 15.489 ( -18.345 0.000 -4.435) 18.874 15.646 ( -16.453 -0.000 -0.444) 16.459 15.886 ( 2.256 0.000 -10.998) 11.227 16.162 ( 14.343 0.000 -12.073) 18.747 16.432 ( 8.529 -0.000 -7.289) 11.219 16.802 ( -1.017 0.000 -5.803) 5.892 16.871 ( -2.460 0.000 -2.343) 3.398 16.942 ( -4.657 0.000 -0.712) 4.711 17.041 ( -13.131 -0.000 -11.253) 17.293 18.551 ( -3.134 -0.000 14.006) 14.353 18.802 ( -6.424 0.000 3.760) 7.444 19.044 ( 8.035 0.000 5.972) 10.012 19.168 ( 2.419 0.000 -4.968) 5.526 21.207 ( -11.555 0.000 18.911) 22.162 21.477 ( -20.716 -0.000 34.194) 39.980 22.972 ( 10.467 0.000 -21.623) 24.023 23.799 ( -12.670 0.000 -18.277) 22.239 24.944 ( 1.365 0.000 -0.480) 1.446 25.185 ( -4.344 0.000 1.076) 4.475 25.225 ( 5.649 0.000 -10.339) 11.782 25.479 ( -2.418 0.000 -6.267) 6.718======================= Grid point 197 (72/108) =======================q-point: ( 0.45 -0.50 0.30)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 165Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.832 ( 3.965 0.000 -7.772) 8.725 2.972 ( -6.248 0.000 -12.595) 14.060 3.109 ( 16.874 0.000 -20.121) 26.260 3.495 ( -13.457 -0.000 -13.526) 19.080 4.038 ( -3.199 0.000 -0.281) 3.211 4.100 ( -5.483 0.000 10.486) 11.833 4.331 ( 11.690 0.000 8.662) 14.549 4.463 ( 8.527 0.000 1.411) 8.643 4.655 ( -1.226 0.000 11.405) 11.470 4.863 ( -12.890 -0.000 0.442) 12.898 5.229 ( 2.236 -0.000 -5.027) 5.502 5.236 ( 1.085 0.000 -5.231) 5.343 7.341 ( 2.177 -0.000 -4.819) 5.288 7.354 ( 1.525 0.000 -2.542) 2.965 7.936 ( 4.963 0.000 -12.011) 12.996 8.004 ( -2.090 0.000 -11.858) 12.040 8.070 ( 13.419 -0.000 24.903) 28.288 8.269 ( -5.425 0.000 20.606) 21.308 8.871 ( 8.571 0.000 8.805) 12.287 9.055 ( -8.906 0.000 13.218) 15.938 9.330 ( 15.512 -0.000 2.831) 15.768 9.522 ( -2.630 0.000 5.377) 5.985 9.710 ( -2.883 0.000 0.941) 3.033 9.827 ( -13.817 0.000 0.779) 13.839 9.967 ( 1.909 0.000 4.901) 5.259 9.997 ( -0.047 -0.000 6.667) 6.667 10.555 ( 5.440 0.000 -11.248) 12.495 10.693 ( -7.929 0.000 -10.799) 13.397 11.266 ( 5.325 0.000 0.638) 5.364 11.360 ( -5.214 -0.000 -1.949) 5.566 11.482 ( -1.236 0.000 -4.422) 4.591 11.503 ( -3.312 0.000 -2.211) 3.982 12.063 ( 3.455 0.000 12.033) 12.519 12.097 ( 0.243 0.000 5.013) 5.019 12.403 ( -0.304 0.000 -4.424) 4.434 12.453 ( -4.144 0.000 5.299) 6.727 12.664 ( -0.782 0.000 -2.858) 2.964 12.692 ( -1.474 -0.000 6.642) 6.804 12.921 ( 3.946 -0.000 -26.512) 26.804 12.981 ( -2.918 0.000 -21.335) 21.534 13.678 ( 3.047 0.000 -17.901) 18.158 13.806 ( -4.174 0.000 -15.092) 15.659 14.033 ( 0.271 0.000 -10.560) 10.563 14.111 ( -6.470 0.000 -7.840) 10.165 14.389 ( 3.334 0.000 -8.659) 9.279 14.433 ( -2.085 -0.000 -6.494) 6.821 14.615 ( -0.274 -0.000 4.961) 4.969 14.651 ( -0.574 0.000 -10.214) 10.231 14.984 ( 5.209 -0.000 -12.127) 13.198 15.008 ( -0.440 0.000 -2.218) 2.261 15.233 ( -6.196 0.000 1.162) 6.304 15.314 ( -13.793 -0.000 5.638) 14.900 15.577 ( 11.168 0.000 -12.230) 16.562 15.808 ( -9.607 -0.000 -9.438) 13.468 16.461 ( 12.828 0.000 -11.953) 17.534 16.572 ( 3.653 -0.000 -11.502) 12.068 16.799 ( -0.379 -0.000 -3.822) 3.841 16.808 ( -5.338 0.000 -2.935) 6.092 16.843 ( -5.177 0.000 -8.575) 10.016 16.845 ( -1.945 -0.000 -1.466) 2.436 18.545 ( 2.983 -0.000 10.508) 10.923 18.658 ( -7.206 0.000 5.960) 9.351 19.161 ( 3.268 0.000 2.571) 4.159 19.189 ( -0.008 0.000 -2.673) 2.673 21.070 ( -1.346 0.000 26.766) 26.800 21.160 ( -10.158 -0.000 33.330) 34.843 23.224 ( 13.819 0.000 -21.341) 25.425 23.517 ( -14.574 -0.000 -19.977) 24.728 24.991 ( 3.444 0.000 0.864) 3.551 25.082 ( -5.226 0.000 1.290) 5.383 25.334 ( 4.832 0.000 -10.434) 11.499 25.419 ( -3.560 0.000 -8.855) 9.544======================= Grid point 220 (73/108) =======================q-point: ( 0.00 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.794 ( 0.000 0.000 17.672) 17.672 3.207 ( 0.000 0.000 4.290) 4.290 3.223 ( 0.000 0.000 2.571) 2.571 3.258 ( 0.000 0.000 -7.700) 7.700 3.860 ( 0.000 0.000 38.854) 38.854 4.115 ( 0.000 0.000 11.061) 11.061 4.433 ( 0.000 0.000 -4.164) 4.164 4.574 ( 0.000 0.000 6.398) 6.398 4.914 ( 0.000 0.000 -3.486) 3.486 5.153 ( 0.000 0.000 0.163) 0.163 5.443 ( 0.000 0.000 -20.743) 20.743 5.789 ( 0.000 0.000 -12.273) 12.273 6.813 ( 0.000 0.000 20.461) 20.461 7.053 ( 0.000 0.000 4.908) 4.908 7.061 ( 0.000 0.000 8.033) 8.033 7.400 ( 0.000 0.000 -9.751) 9.751 8.163 ( 0.000 0.000 38.002) 38.002 8.313 ( 0.000 0.000 15.242) 15.242 8.429 ( 0.000 0.000 6.885) 6.885 8.668 ( 0.000 0.000 0.032) 0.032 9.455 ( 0.000 0.000 -26.573) 26.573 9.828 ( 0.000 0.000 -29.644) 29.644 9.901 ( 0.000 0.000 11.474) 11.474 10.098 ( 0.000 0.000 5.449) 5.449 10.152 ( 0.000 0.000 5.448) 5.448 10.372 ( 0.000 0.000 -9.429) 9.429 10.938 ( 0.000 0.000 0.489) 0.489 11.038 ( 0.000 0.000 -4.835) 4.835 11.464 ( 0.000 0.000 15.287) 15.287 11.488 ( 0.000 0.000 -2.149) 2.149 11.783 ( 0.000 0.000 18.073) 18.073 11.875 ( 0.000 0.000 -16.375) 16.375 11.949 ( 0.000 0.000 -3.069) 3.069 12.135 ( 0.000 0.000 -15.049) 15.049 12.280 ( 0.000 0.000 -16.070) 16.070 12.368 ( 0.000 0.000 -6.924) 6.924 12.708 ( 0.000 0.000 8.657) 8.657 12.893 ( 0.000 0.000 0.431) 0.431 12.900 ( 0.000 0.000 0.784) 0.784 12.911 ( 0.000 0.000 3.367) 3.367 13.553 ( 0.000 0.000 -10.328) 10.328 13.604 ( 0.000 0.000 -8.827) 8.827 13.749 ( 0.000 0.000 5.870) 5.870 14.038 ( 0.000 0.000 -7.537) 7.537 14.425 ( 0.000 0.000 17.329) 17.329 14.655 ( 0.000 0.000 8.323) 8.323 14.736 ( 0.000 0.000 17.622) 17.622 14.888 ( 0.000 0.000 0.240) 0.240 15.065 ( 0.000 0.000 -10.479) 10.479 15.280 ( 0.000 0.000 -2.349) 2.349 15.337 ( 0.000 0.000 -6.928) 6.928 15.347 ( 0.000 0.000 -5.601) 5.601 16.333 ( 0.000 0.000 6.025) 6.025 16.346 ( 0.000 0.000 19.084) 19.084 16.704 ( 0.000 0.000 -8.260) 8.260 16.978 ( 0.000 0.000 -5.342) 5.342 17.407 ( 0.000 0.000 -2.879) 2.879 17.506 ( 0.000 0.000 -3.531) 3.531 17.521 ( 0.000 0.000 12.190) 12.190 17.878 ( 0.000 0.000 7.281) 7.281 18.198 ( 0.000 0.000 -13.514) 13.514 18.248 ( 0.000 0.000 -7.715) 7.715 18.287 ( 0.000 0.000 4.726) 4.726 18.639 ( 0.000 0.000 -9.769) 9.769 22.666 ( 0.000 0.000 15.890) 15.890 23.050 ( 0.000 0.000 19.739) 19.739 23.402 ( 0.000 0.000 -15.413) 15.413 23.870 ( 0.000 0.000 -17.902) 17.902 24.760 ( 0.000 0.000 3.479) 3.479 24.886 ( 0.000 0.000 7.154) 7.154 24.914 ( 0.000 0.000 -2.988) 2.988 25.265 ( 0.000 0.000 -8.414) 8.414======================= Grid point 221 (74/108) =======================q-point: ( 0.09 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.859 ( 6.287 0.000 14.604) 15.900 3.120 ( -4.245 0.000 1.492) 4.499 3.271 ( 5.625 0.000 6.974) 8.960 3.371 ( -6.178 0.000 8.814) 10.764 3.636 ( 0.569 0.000 16.512) 16.522 4.263 ( -22.209 0.000 -5.062) 22.778 4.355 ( 11.981 0.000 14.457) 18.776 4.416 ( -3.834 0.000 6.236) 7.320 4.931 ( 1.384 0.000 -3.094) 3.390 5.293 ( 6.404 0.000 4.112) 7.610 5.408 ( -1.133 0.000 -23.504) 23.531 5.662 ( -11.469 0.000 -10.986) 15.881 6.900 ( 8.239 0.000 17.042) 18.929 7.024 ( -1.315 0.000 6.135) 6.275 7.108 ( 3.366 0.000 5.612) 6.544 7.416 ( 1.184 0.000 -10.364) 10.431 8.165 ( 0.675 0.000 37.744) 37.750 8.313 ( 0.343 0.000 16.768) 16.772 8.475 ( 4.262 0.000 6.429) 7.713 8.702 ( 2.891 0.000 0.744) 2.985 9.467 ( 1.112 0.000 -27.341) 27.364 9.737 ( -5.563 0.000 -14.752) 15.767 9.958 ( 2.630 0.000 -0.783) 2.744 10.107 ( 0.081 0.000 1.667) 1.669 10.144 ( -0.742 0.000 3.042) 3.132 10.282 ( -8.209 0.000 -6.017) 10.179 10.998 ( -6.179 0.000 1.482) 6.354 11.020 ( 6.925 0.000 -1.261) 7.039 11.211 ( -8.370 0.000 2.057) 8.619 11.569 ( -16.502 0.000 -12.947) 20.974 11.599 ( -3.479 0.000 11.653) 12.162 11.853 ( -9.593 0.000 0.808) 9.627 11.893 ( 12.243 0.000 11.646) 16.897 12.283 ( 0.210 0.000 -13.661) 13.662 12.335 ( -1.117 0.000 -11.330) 11.385 12.498 ( 20.631 0.000 -16.676) 26.528 12.726 ( 1.948 0.000 5.845) 6.162 12.785 ( -8.752 0.000 -0.030) 8.752 12.890 ( -2.090 0.000 4.562) 5.018 12.965 ( 5.925 0.000 -0.195) 5.929 13.480 ( -3.788 0.000 4.474) 5.862 13.604 ( 0.311 0.000 -7.748) 7.754 13.965 ( 13.141 0.000 -8.888) 15.865 14.040 ( -0.288 0.000 -7.956) 7.962 14.469 ( 4.403 0.000 16.543) 17.119 14.644 ( -5.316 0.000 14.096) 15.065 14.694 ( 1.547 0.000 10.852) 10.961 14.864 ( -1.868 0.000 0.482) 1.929 15.056 ( -4.068 0.000 -5.232) 6.627 15.274 ( -0.894 0.000 -1.273) 1.556 15.285 ( -1.467 0.000 -11.430) 11.524 15.386 ( 2.585 0.000 -6.364) 6.868 16.203 ( -9.162 0.000 12.856) 15.787 16.294 ( -7.955 0.000 10.789) 13.404 16.600 ( -13.027 0.000 -10.561) 16.770 16.774 ( -17.745 0.000 -0.146) 17.746 17.205 ( -15.813 0.000 1.662) 15.900 17.250 ( -10.824 0.000 -8.536) 13.785 17.396 ( -7.332 0.000 9.820) 12.255 17.867 ( -17.625 0.000 -12.307) 21.496 18.305 ( 18.728 0.000 -1.823) 18.817 18.366 ( 10.718 0.000 -2.201) 10.942 18.521 ( 16.019 0.000 2.530) 16.217 18.792 ( 9.889 0.000 -7.317) 12.302 22.449 ( -16.444 0.000 14.922) 22.205 23.073 ( -22.520 0.000 -11.957) 25.497 23.105 ( -0.050 0.000 20.900) 20.900 23.985 ( 2.370 0.000 -19.555) 19.698 24.699 ( -6.279 0.000 3.703) 7.290 24.807 ( 4.920 0.000 -1.018) 5.024 25.133 ( 9.896 0.000 0.711) 9.921 25.312 ( 3.758 0.000 -6.609) 7.603======================= Grid point 222 (75/108) =======================q-point: ( 0.18 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.896 ( -17.793 0.000 18.023) 25.326 3.038 ( 10.758 0.000 7.298) 13.000 3.241 ( 2.057 0.000 6.264) 6.593 3.374 ( 2.096 0.000 13.444) 13.607 3.761 ( -24.360 0.000 -5.624) 25.001 3.876 ( 13.686 0.000 -2.232) 13.867 4.373 ( 0.767 0.000 3.520) 3.602 4.516 ( 4.467 0.000 10.427) 11.344 4.913 ( -5.993 0.000 -7.626) 9.699 5.219 ( -8.799 0.000 -10.879) 13.992 5.417 ( -8.935 0.000 -1.946) 9.145 5.503 ( 5.197 0.000 -4.990) 7.205 7.011 ( 0.390 0.000 2.248) 2.281 7.116 ( 11.567 0.000 7.684) 13.887 7.203 ( 6.047 0.000 5.254) 8.010 7.439 ( 1.573 0.000 -10.941) 11.054 8.218 ( 5.113 0.000 37.027) 37.378 8.347 ( 3.447 0.000 19.434) 19.738 8.583 ( 5.940 0.000 5.192) 7.889 8.769 ( 3.483 0.000 1.118) 3.658 9.489 ( 0.722 0.000 -28.115) 28.124 9.640 ( -3.747 0.000 -10.353) 11.011 9.983 ( -0.623 0.000 3.703) 3.755 10.069 ( -11.362 0.000 0.720) 11.385 10.086 ( -1.212 0.000 -7.621) 7.717 10.138 ( -0.068 0.000 -2.883) 2.884 10.748 ( -15.056 0.000 6.037) 16.221 11.080 ( -6.937 0.000 -6.451) 9.473 11.211 ( 4.559 0.000 0.376) 4.574 11.380 ( 2.265 0.000 -8.969) 9.250 11.464 ( -7.542 0.000 10.915) 13.267 11.629 ( -10.474 0.000 5.648) 11.900 12.149 ( 9.956 0.000 6.966) 12.151 12.292 ( 1.773 0.000 -6.108) 6.360 12.295 ( -3.362 0.000 -12.591) 13.032 12.593 ( -8.989 0.000 3.843) 9.776 12.708 ( -3.360 0.000 -4.561) 5.665 12.779 ( 2.683 0.000 0.575) 2.744 13.001 ( 14.946 0.000 -8.179) 17.038 13.092 ( 5.964 0.000 -4.813) 7.664 13.408 ( -3.544 0.000 9.508) 10.147 13.627 ( 2.041 0.000 -5.836) 6.183 14.004 ( -3.450 0.000 -9.119) 9.750 14.085 ( -3.017 0.000 -7.153) 7.763 14.419 ( -9.222 0.000 9.920) 13.545 14.624 ( 3.709 0.000 8.736) 9.491 14.798 ( -14.105 0.000 2.939) 14.408 14.826 ( -8.132 0.000 -5.141) 9.620 14.865 ( 14.547 0.000 5.490) 15.548 15.236 ( -2.253 0.000 4.978) 5.464 15.314 ( 2.701 0.000 -13.829) 14.090 15.490 ( 7.993 0.000 -6.267) 10.157 16.006 ( -9.704 0.000 4.922) 10.881 16.086 ( -9.169 0.000 10.942) 14.276 16.091 ( -30.721 0.000 -3.241) 30.892 16.476 ( -12.556 0.000 -4.564) 13.359 16.965 ( -9.726 0.000 -1.078) 9.785 17.054 ( -8.379 0.000 -11.809) 14.479 17.287 ( -4.297 0.000 4.116) 5.950 17.431 ( -22.751 0.000 -11.108) 25.318 18.611 ( 12.568 0.000 2.140) 12.749 18.639 ( 12.076 0.000 0.295) 12.080 18.818 ( 12.351 0.000 0.539) 12.363 18.952 ( 5.534 0.000 -3.904) 6.773 22.098 ( -17.089 0.000 14.942) 22.700 22.672 ( -15.112 0.000 -11.624) 19.066 22.955 ( -14.205 0.000 23.313) 27.299 23.895 ( -9.651 0.000 -20.022) 22.227 24.673 ( 3.240 0.000 3.350) 4.661 24.921 ( 4.804 0.000 -6.727) 8.266 25.284 ( 4.863 0.000 0.085) 4.864 25.377 ( 1.928 0.000 -4.211) 4.631======================= Grid point 223 (76/108) =======================q-point: ( 0.27 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.592 ( -9.881 0.000 12.822) 16.188 3.143 ( -12.225 0.000 -3.132) 12.620 3.327 ( 0.179 0.000 11.591) 11.592 3.360 ( 8.272 0.000 3.399) 8.943 3.430 ( -2.833 0.000 -3.370) 4.402 4.014 ( -3.415 0.000 -10.347) 10.896 4.500 ( 11.669 0.000 5.687) 12.981 4.537 ( -7.195 0.000 11.141) 13.262 4.742 ( -0.386 0.000 -9.420) 9.428 5.000 ( -12.469 0.000 -11.188) 16.752 5.356 ( 0.500 0.000 7.942) 7.958 5.555 ( -0.060 0.000 0.790) 0.792 7.054 ( 4.063 0.000 -2.966) 5.030 7.279 ( 3.584 0.000 -6.778) 7.667 7.341 ( 6.820 0.000 4.610) 8.232 7.536 ( 8.031 0.000 -6.033) 10.045 8.373 ( 9.580 0.000 37.315) 38.525 8.467 ( 8.519 0.000 17.678) 19.623 8.716 ( 7.509 0.000 2.999) 8.085 8.852 ( 5.363 0.000 0.271) 5.370 9.484 ( -1.143 0.000 -21.965) 21.995 9.590 ( -1.189 0.000 -9.150) 9.227 9.833 ( -11.099 0.000 6.466) 12.845 9.940 ( -2.671 0.000 6.048) 6.611 10.081 ( -0.379 0.000 -9.540) 9.547 10.165 ( 2.672 0.000 -6.366) 6.904 10.463 ( -11.624 0.000 3.365) 12.102 10.832 ( -13.928 0.000 -10.546) 17.470 11.187 ( -7.805 0.000 -0.105) 7.806 11.385 ( -6.404 0.000 -0.620) 6.434 11.447 ( 5.775 0.000 11.955) 13.276 11.602 ( 8.423 0.000 -0.203) 8.425 12.145 ( -11.261 0.000 -9.920) 15.007 12.187 ( -2.681 0.000 -9.137) 9.522 12.435 ( 8.940 0.000 10.340) 13.669 12.473 ( -2.811 0.000 7.234) 7.761 12.600 ( -5.105 0.000 -3.040) 5.942 12.787 ( -3.753 0.000 -3.833) 5.365 13.202 ( 5.398 0.000 -13.191) 14.253 13.219 ( 2.569 0.000 7.276) 7.717 13.341 ( -1.947 0.000 -3.856) 4.320 13.667 ( 0.104 0.000 -6.237) 6.238 13.880 ( -13.568 0.000 -1.266) 13.627 13.918 ( -3.313 0.000 -10.483) 10.994 14.284 ( -4.386 0.000 -0.949) 4.487 14.381 ( -19.918 0.000 -3.191) 20.172 14.634 ( -3.760 0.000 3.157) 4.909 14.721 ( -6.483 0.000 -3.187) 7.224 15.099 ( 4.409 0.000 5.211) 6.826 15.298 ( 11.077 0.000 8.225) 13.797 15.306 ( -7.574 0.000 -5.008) 9.080 15.550 ( -17.185 0.000 -3.056) 17.455 15.690 ( 10.290 0.000 -3.744) 10.950 15.828 ( -5.589 0.000 -5.023) 7.514 16.014 ( 1.385 0.000 5.106) 5.290 16.288 ( -4.179 0.000 -7.639) 8.708 16.725 ( -15.068 0.000 -8.992) 17.547 16.884 ( -8.985 0.000 -11.690) 14.744 17.020 ( -16.280 0.000 1.287) 16.331 17.190 ( -5.654 0.000 -0.969) 5.736 18.780 ( 2.441 0.000 4.984) 5.550 18.852 ( 10.603 0.000 2.653) 10.930 19.016 ( 0.671 0.000 0.354) 0.759 19.017 ( 7.455 0.000 -1.435) 7.592 21.785 ( -12.948 0.000 18.251) 22.377 22.491 ( -2.641 0.000 -16.099) 16.315 22.590 ( -20.112 0.000 26.505) 33.272 23.645 ( -14.229 0.000 -21.923) 26.136 24.785 ( 6.802 0.000 0.680) 6.835 24.981 ( 1.526 0.000 -7.123) 7.285 25.332 ( -0.008 0.000 -1.040) 1.040 25.373 ( -2.377 0.000 -2.943) 3.783======================= Grid point 224 (77/108) =======================q-point: ( 0.36 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.536 ( 4.567 0.000 0.369) 4.582 2.857 ( -10.711 0.000 -5.127) 11.875 3.126 ( -13.257 0.000 -2.563) 13.502 3.509 ( 0.430 0.000 -4.331) 4.353 3.661 ( 15.702 0.000 0.875) 15.726 3.774 ( -11.351 0.000 -11.328) 16.036 4.314 ( -10.975 0.000 8.812) 14.075 4.679 ( -11.338 0.000 -7.968) 13.858 4.831 ( 11.781 0.000 6.120) 13.276 4.906 ( 11.042 0.000 2.081) 11.237 5.356 ( -1.474 0.000 8.955) 9.075 5.507 ( -4.620 0.000 3.645) 5.885 7.172 ( 7.140 0.000 -5.596) 9.071 7.341 ( 4.120 0.000 -11.120) 11.859 7.445 ( 2.655 0.000 2.323) 3.528 7.659 ( 2.151 0.000 -7.004) 7.327 8.573 ( 9.493 0.000 35.021) 36.285 8.677 ( 10.841 0.000 16.548) 19.783 8.909 ( 11.785 0.000 1.634) 11.898 9.005 ( 9.294 0.000 0.362) 9.301 9.477 ( 1.523 0.000 -11.401) 11.503 9.571 ( -1.732 0.000 -6.861) 7.076 9.632 ( -8.680 0.000 10.666) 13.752 9.839 ( -8.546 0.000 1.351) 8.652 10.061 ( 0.076 0.000 -1.529) 1.531 10.238 ( 4.068 0.000 -7.702) 8.710 10.318 ( -3.864 0.000 0.116) 3.866 10.574 ( -10.350 0.000 -10.312) 14.610 11.053 ( -3.032 0.000 -2.108) 3.692 11.274 ( -3.500 0.000 -5.332) 6.378 11.508 ( -2.168 0.000 8.081) 8.366 11.701 ( -4.637 0.000 -2.089) 5.086 11.966 ( -0.026 0.000 -5.114) 5.114 12.146 ( -0.361 0.000 -10.097) 10.103 12.441 ( -0.900 0.000 11.334) 11.370 12.517 ( -8.283 0.000 0.948) 8.337 12.520 ( -3.038 0.000 -9.246) 9.732 12.675 ( 2.540 0.000 -0.600) 2.610 13.121 ( -9.700 0.000 17.301) 19.835 13.283 ( -4.387 0.000 -9.469) 10.436 13.313 ( 2.899 0.000 -20.306) 20.512 13.560 ( -7.416 0.000 -7.578) 10.603 13.638 ( -10.250 0.000 -1.080) 10.307 13.924 ( 0.371 0.000 -14.198) 14.203 14.104 ( -4.623 0.000 -0.805) 4.693 14.220 ( -1.727 0.000 -5.250) 5.527 14.492 ( -8.822 0.000 -1.652) 8.975 14.549 ( -10.365 0.000 -6.118) 12.036 15.069 ( -8.538 0.000 2.844) 8.999 15.161 ( 3.906 0.000 12.267) 12.874 15.340 ( -9.181 0.000 -0.568) 9.198 15.506 ( 6.028 0.000 -4.925) 7.784 15.850 ( 7.327 0.000 -2.478) 7.734 15.908 ( 11.054 0.000 -0.692) 11.076 16.091 ( 5.395 0.000 -3.768) 6.581 16.342 ( 8.491 0.000 -10.863) 13.788 16.409 ( -13.540 0.000 -3.324) 13.942 16.676 ( -11.473 0.000 -10.439) 15.512 16.744 ( -12.387 0.000 3.154) 12.782 17.047 ( -8.606 0.000 -5.290) 10.102 18.787 ( -0.482 0.000 8.724) 8.737 18.978 ( -4.128 0.000 5.436) 6.826 19.025 ( 6.327 0.000 -0.989) 6.403 19.130 ( 3.700 0.000 -2.152) 4.280 21.604 ( -4.239 0.000 24.060) 24.430 22.185 ( -19.016 0.000 29.262) 34.898 22.545 ( 7.206 0.000 -21.142) 22.336 23.340 ( -15.404 0.000 -23.644) 28.219 24.929 ( 7.128 0.000 -2.460) 7.540 25.007 ( 1.558 0.000 -5.220) 5.448 25.288 ( -5.619 0.000 -2.410) 6.114 25.293 ( -3.536 0.000 -2.711) 4.456======================= Grid point 225 (78/108) =======================q-point: ( 0.45 0.00 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 168Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.756 ( 0.889 0.000 -6.726) 6.785 2.762 ( 16.801 0.000 -11.068) 20.119 2.876 ( -10.116 0.000 -5.346) 11.442 3.176 ( -22.544 0.000 -17.495) 28.536 3.862 ( 10.869 0.000 4.552) 11.783 3.998 ( 17.245 0.000 -3.512) 17.599 4.091 ( -11.216 0.000 6.995) 13.219 4.353 ( -17.435 0.000 -7.059) 18.810 5.120 ( 9.514 0.000 5.326) 10.903 5.130 ( 13.905 0.000 7.221) 15.668 5.280 ( -5.973 0.000 7.398) 9.508 5.367 ( -9.247 0.000 5.411) 10.714 7.323 ( 7.102 0.000 -4.792) 8.568 7.436 ( -3.443 0.000 -1.550) 3.776 7.463 ( 7.580 0.000 -10.701) 13.114 7.613 ( -5.934 0.000 -9.271) 11.007 8.746 ( 7.102 0.000 28.824) 29.686 8.821 ( 1.329 0.000 22.367) 22.407 9.180 ( 14.107 0.000 3.198) 14.465 9.214 ( 11.656 0.000 3.006) 12.037 9.449 ( -11.133 0.000 3.501) 11.671 9.451 ( -10.355 0.000 8.428) 13.351 9.560 ( 5.862 0.000 -8.207) 10.085 9.676 ( -5.797 0.000 -8.863) 10.591 10.104 ( 4.041 0.000 3.001) 5.033 10.219 ( -6.313 0.000 4.868) 7.972 10.327 ( 4.976 0.000 -7.771) 9.227 10.429 ( -4.940 0.000 -7.069) 8.624 11.116 ( 8.940 0.000 -5.573) 10.534 11.281 ( 5.074 0.000 -9.864) 11.093 11.350 ( -11.844 0.000 -0.772) 11.869 11.474 ( -12.659 0.000 -7.291) 14.608 12.118 ( 10.806 0.000 0.374) 10.813 12.171 ( 2.659 0.000 -7.612) 8.063 12.283 ( -9.311 0.000 -6.467) 11.337 12.335 ( -9.484 0.000 1.811) 9.656 12.570 ( 8.810 0.000 -1.697) 8.972 12.839 ( -16.014 0.000 1.207) 16.059 12.855 ( 12.250 0.000 -0.431) 12.258 13.140 ( -14.851 0.000 -9.199) 17.469 13.279 ( 4.583 0.000 3.387) 5.699 13.434 ( -9.624 0.000 2.360) 9.910 13.620 ( 9.611 0.000 -16.157) 18.799 13.819 ( -8.682 0.000 -18.029) 20.010 14.177 ( 7.161 0.000 -5.143) 8.816 14.228 ( 2.646 0.000 -6.017) 6.573 14.325 ( -6.811 0.000 -4.671) 8.258 14.339 ( -9.207 0.000 -7.507) 11.879 15.020 ( 2.793 0.000 6.030) 6.646 15.147 ( -8.829 0.000 6.099) 10.731 15.298 ( 9.319 0.000 6.170) 11.176 15.487 ( -7.251 0.000 -3.162) 7.911 16.037 ( 9.208 0.000 3.750) 9.942 16.146 ( 12.450 0.000 -2.529) 12.704 16.203 ( -7.087 0.000 1.309) 7.206 16.251 ( 9.835 0.000 -7.418) 12.318 16.405 ( -12.075 0.000 -5.804) 13.397 16.491 ( -12.510 0.000 -2.045) 12.676 16.589 ( 11.788 0.000 -12.113) 16.902 16.839 ( -11.658 0.000 -8.929) 14.684 18.798 ( 2.103 0.000 10.216) 10.431 18.875 ( -5.134 0.000 9.060) 10.413 19.121 ( 3.384 0.000 -3.785) 5.077 19.163 ( -0.466 0.000 -3.341) 3.373 21.626 ( 6.285 0.000 28.994) 29.668 21.841 ( -14.307 0.000 30.527) 33.713 22.752 ( 12.454 0.000 -23.857) 26.912 23.031 ( -14.717 0.000 -24.422) 28.513 25.061 ( 3.951 0.000 -3.391) 5.207 25.070 ( 6.726 0.000 -4.244) 7.953 25.165 ( -6.003 0.000 -2.466) 6.490 25.198 ( -5.664 0.000 -4.140) 7.016======================= Grid point 231 (79/108) =======================q-point: ( 0.00 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 120Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.879 ( 0.000 6.294 16.179) 17.360 3.109 ( 0.000 -4.533 9.742) 10.745 3.312 ( 0.000 3.828 -2.872) 4.785 3.322 ( 0.000 4.318 -8.081) 9.163 3.864 ( 0.000 0.070 35.491) 35.491 3.968 ( 0.000 -8.059 18.265) 19.964 4.513 ( 0.000 7.367 -6.192) 9.624 4.773 ( 0.000 13.190 4.617) 13.974 5.027 ( 0.000 10.189 -5.653) 11.652 5.032 ( 0.000 -10.231 -1.477) 10.337 5.340 ( 0.000 -8.993 -14.486) 17.051 5.649 ( 0.000 -11.919 -11.860) 16.815 6.848 ( 0.000 3.113 17.879) 18.148 7.012 ( 0.000 -3.659 9.602) 10.275 7.073 ( 0.000 2.090 3.009) 3.664 7.324 ( 0.000 -6.212 -8.088) 10.198 8.171 ( 0.000 0.583 36.604) 36.608 8.272 ( 0.000 -3.218 19.472) 19.736 8.579 ( 0.000 12.969 8.157) 15.321 8.817 ( 0.000 13.003 -2.246) 13.195 9.366 ( 0.000 -13.172 -3.278) 13.574 9.597 ( 0.000 -11.956 -9.588) 15.325 9.764 ( 0.000 -16.179 -7.507) 17.836 9.788 ( 0.000 -3.441 -30.235) 30.431 10.515 ( 0.000 18.722 4.576) 19.274 10.603 ( 0.000 10.758 -2.429) 11.029 10.871 ( 0.000 -4.484 1.264) 4.659 11.032 ( 0.000 -2.498 -6.734) 7.182 11.474 ( 0.000 1.212 14.226) 14.278 11.518 ( 0.000 1.314 1.950) 2.351 11.797 ( 0.000 2.928 12.926) 13.253 11.932 ( 0.000 -1.618 0.049) 1.619 11.937 ( 0.000 4.278 -12.461) 13.175 12.162 ( 0.000 1.235 -15.179) 15.229 12.261 ( 0.000 -2.167 -13.645) 13.816 12.338 ( 0.000 -2.426 -6.662) 7.090 12.723 ( 0.000 1.069 7.187) 7.266 12.770 ( 0.000 -3.157 4.740) 5.695 12.996 ( 0.000 8.202 4.479) 9.345 13.098 ( 0.000 9.410 -6.933) 11.688 13.513 ( 0.000 -4.403 -8.240) 9.343 13.624 ( 0.000 -10.443 9.314) 13.993 13.662 ( 0.000 6.442 -8.150) 10.389 14.017 ( 0.000 -3.168 -7.579) 8.214 14.448 ( 0.000 1.851 13.130) 13.260 14.593 ( 0.000 -3.922 5.261) 6.563 14.739 ( 0.000 -0.399 10.596) 10.604 14.770 ( 0.000 -7.223 -0.096) 7.224 15.101 ( 0.000 3.071 -6.934) 7.583 15.300 ( 0.000 -2.484 -2.123) 3.267 15.331 ( 0.000 0.409 -3.543) 3.567 15.349 ( 0.000 1.973 -2.440) 3.138 16.399 ( 0.000 4.249 16.945) 17.469 16.413 ( 0.000 5.740 7.236) 9.236 16.747 ( 0.000 2.829 -5.163) 5.887 16.926 ( 0.000 -4.398 -3.648) 5.714 17.388 ( 0.000 -6.651 7.286) 9.865 17.400 ( 0.000 -1.292 -2.750) 3.039 17.494 ( 0.000 0.198 -4.477) 4.481 17.851 ( 0.000 -15.323 -9.026) 17.784 18.023 ( 0.000 8.210 9.391) 12.473 18.259 ( 0.000 -2.467 5.873) 6.370 18.526 ( 0.000 10.183 -12.759) 16.325 18.664 ( 0.000 1.524 -10.997) 11.102 22.718 ( 0.000 4.472 16.176) 16.783 22.989 ( 0.000 -5.186 18.840) 19.541 23.451 ( 0.000 4.416 -15.361) 15.983 23.774 ( 0.000 -7.595 -16.727) 18.371 24.783 ( 0.000 1.894 4.244) 4.648 24.872 ( 0.000 -1.314 6.790) 6.916 24.989 ( 0.000 5.756 -4.462) 7.283 25.228 ( 0.000 -3.276 -7.937) 8.587======================= Grid point 232 (80/108) =======================q-point: ( 0.09 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.934 ( 5.191 5.447 13.470) 15.429 3.154 ( -0.476 -1.035 8.575) 8.650 3.215 ( -1.382 -0.313 2.625) 2.983 3.370 ( -5.197 -0.204 5.824) 7.808 3.706 ( 3.046 4.626 13.074) 14.199 4.138 ( 0.228 -5.272 20.006) 20.690 4.411 ( -9.268 6.078 -8.995) 14.274 4.604 ( -4.588 8.434 8.949) 13.126 5.001 ( -1.299 6.391 -5.271) 8.385 5.228 ( 8.658 -4.769 0.538) 9.899 5.305 ( -2.753 -8.085 -16.018) 18.152 5.548 ( -8.798 -9.511 -10.982) 16.984 6.924 ( 7.076 1.820 14.521) 16.256 7.017 ( 0.283 -1.241 7.271) 7.381 7.106 ( 3.426 1.124 3.555) 5.063 7.358 ( 3.105 -4.691 -8.979) 10.596 8.176 ( 0.811 0.642 37.861) 37.875 8.269 ( 0.347 -2.882 19.807) 20.019 8.615 ( 3.003 11.198 6.967) 13.526 8.827 ( 0.792 11.373 -1.130) 11.456 9.424 ( 5.023 -9.470 -7.076) 12.845 9.568 ( -1.998 -10.774 -10.082) 14.890 9.721 ( -3.703 -14.493 -8.104) 17.013 9.814 ( 1.712 -6.789 -26.511) 27.420 10.443 ( -6.880 13.141 4.994) 15.651 10.522 ( -4.968 10.992 1.387) 12.142 10.957 ( -0.939 -3.797 -0.216) 3.917 11.021 ( 4.275 -0.445 -3.449) 5.510 11.188 ( -13.411 -1.090 6.026) 14.743 11.615 ( -15.619 4.738 -9.325) 18.798 11.653 ( -2.907 3.123 4.782) 6.408 11.876 ( 2.819 1.034 10.310) 10.738 11.931 ( 3.076 3.070 4.468) 6.232 12.159 ( -2.153 -6.342 -10.461) 12.421 12.442 ( 3.352 3.725 -10.482) 11.619 12.466 ( 14.900 -3.169 -10.660) 18.592 12.629 ( -1.365 -2.408 -3.686) 4.609 12.839 ( -10.478 2.547 -3.610) 11.371 12.930 ( 6.433 -0.185 5.743) 8.625 13.085 ( 1.060 11.405 3.276) 11.914 13.477 ( -0.948 -1.197 5.506) 5.713 13.614 ( -0.828 0.838 -4.865) 5.006 13.895 ( 14.423 -4.607 -8.907) 17.567 14.029 ( 0.689 -1.929 -7.874) 8.136 14.458 ( 1.759 -1.591 13.492) 13.699 14.623 ( 2.427 -2.221 5.410) 6.331 14.673 ( -5.630 0.751 9.981) 11.484 14.778 ( 1.113 -6.077 0.768) 6.226 15.095 ( -2.425 3.148 -5.268) 6.599 15.271 ( -2.772 0.174 -5.265) 5.953 15.326 ( 0.526 1.643 -0.632) 1.837 15.361 ( 1.435 -1.506 -4.142) 4.635 16.232 ( -11.704 2.269 13.617) 18.098 16.353 ( -10.628 3.593 9.418) 14.648 16.660 ( -9.769 3.644 -7.351) 12.757 16.766 ( -15.360 1.179 -3.894) 15.890 17.171 ( -10.860 -3.561 -0.966) 11.470 17.231 ( -15.930 -1.431 -3.454) 16.363 17.303 ( -9.036 -6.130 6.894) 12.913 17.749 ( -12.298 -7.764 -10.697) 18.054 18.294 ( 19.428 1.621 2.296) 19.630 18.487 ( 9.793 4.244 -2.142) 10.886 18.535 ( 11.915 2.017 -1.603) 12.190 18.818 ( 8.742 1.899 -7.945) 11.964 22.467 ( -17.409 1.343 14.747) 22.855 23.079 ( -22.201 0.409 -9.890) 24.308 23.091 ( 0.426 -0.978 18.175) 18.207 23.924 ( 3.015 -4.087 -17.493) 18.215 24.712 ( -1.439 0.025 2.240) 2.662 24.858 ( -0.784 4.929 -1.576) 5.233 25.113 ( 8.582 -2.096 0.832) 8.874 25.306 ( 5.572 -0.271 -6.179) 8.324======================= Grid point 233 (81/108) =======================q-point: ( 0.18 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.880 ( -15.698 -0.928 18.852) 24.550 3.125 ( 5.820 2.932 5.732) 8.679 3.204 ( 3.080 1.316 5.619) 6.542 3.411 ( 4.663 -0.325 5.370) 7.119 3.777 ( -11.450 6.201 3.210) 13.411 3.989 ( 3.655 6.462 -1.672) 7.611 4.314 ( -1.280 -4.070 5.677) 7.102 4.624 ( 3.429 6.468 10.305) 12.640 4.910 ( -9.794 0.075 -12.191) 15.638 5.186 ( -6.759 -2.425 -9.007) 11.519 5.297 ( -3.432 -8.383 -0.538) 9.075 5.441 ( 0.996 -5.235 -4.886) 7.229 7.028 ( 1.209 1.269 2.404) 2.975 7.104 ( 9.776 -1.394 8.174) 12.819 7.204 ( 5.450 0.509 1.474) 5.669 7.448 ( 6.108 0.635 -10.011) 11.745 8.227 ( 4.720 0.445 39.126) 39.412 8.311 ( 4.249 -2.275 19.760) 20.340 8.678 ( 2.963 7.019 4.760) 8.983 8.840 ( 0.370 6.853 0.139) 6.864 9.505 ( 0.998 0.166 -26.070) 26.090 9.559 ( 0.667 -7.810 -2.105) 8.116 9.652 ( -0.582 -16.709 1.292) 16.769 9.844 ( 1.461 -6.728 -21.197) 22.287 10.283 ( -8.169 6.073 3.500) 10.764 10.411 ( -6.217 12.851 2.174) 14.441 10.750 ( -14.686 -0.525 6.829) 16.205 11.045 ( -3.068 -5.965 -0.480) 6.725 11.128 ( 0.293 -1.645 -1.378) 2.166 11.371 ( -4.180 2.308 -9.436) 10.576 11.551 ( -5.516 4.785 2.407) 7.689 11.758 ( -7.320 7.403 4.711) 11.427 12.121 ( 5.431 -2.282 1.806) 6.162 12.195 ( 6.038 -3.074 0.457) 6.790 12.400 ( -5.147 -0.767 -3.092) 6.053 12.522 ( -5.805 -0.594 -3.166) 6.639 12.677 ( -1.570 -0.189 -4.401) 4.676 12.762 ( 5.826 -1.270 -9.888) 11.547 13.002 ( 0.144 -5.757 -0.958) 5.838 13.187 ( 7.840 11.440 -2.663) 14.122 13.458 ( -1.628 -0.080 9.023) 9.170 13.609 ( 0.521 2.527 -4.058) 4.808 14.008 ( -2.580 -0.433 -9.447) 9.803 14.071 ( 1.259 -0.667 -6.201) 6.363 14.459 ( -7.196 0.590 9.045) 11.573 14.607 ( 3.253 -0.654 2.900) 4.407 14.668 ( 0.029 -5.556 6.648) 8.664 14.854 ( 6.965 -3.884 -1.100) 8.050 14.947 ( -10.581 8.186 0.384) 13.383 15.218 ( -1.059 0.391 -6.572) 6.668 15.339 ( -0.403 0.773 1.481) 1.719 15.451 ( 8.041 -2.903 -4.656) 9.734 15.922 ( -20.814 -2.992 7.607) 22.362 16.087 ( -10.687 2.282 5.007) 12.020 16.283 ( -20.436 7.392 -6.214) 22.602 16.448 ( -16.509 -0.720 -6.029) 17.590 16.976 ( -10.026 -3.839 -7.098) 12.870 17.010 ( -5.565 1.422 -0.002) 5.743 17.170 ( -5.281 -8.053 4.611) 10.677 17.416 ( -17.602 -1.559 -11.821) 21.260 18.637 ( 14.043 1.931 1.848) 14.295 18.682 ( 9.853 2.844 -0.052) 10.255 18.820 ( 11.733 0.094 0.871) 11.765 18.952 ( 4.354 -0.051 -3.735) 5.737 22.108 ( -17.223 0.672 13.950) 22.174 22.663 ( -15.676 -0.630 -11.763) 19.609 22.961 ( -14.124 0.374 23.350) 27.292 23.857 ( -7.824 -2.600 -17.574) 19.412 24.730 ( 2.821 3.862 -0.146) 4.785 24.902 ( 3.769 -1.050 -5.793) 6.991 25.253 ( 4.599 -2.398 1.079) 5.298 25.395 ( 2.492 1.166 -4.632) 5.388======================= Grid point 234 (82/108) =======================q-point: ( 0.27 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.601 ( -9.281 0.526 12.617) 15.672 3.100 ( -9.121 -2.608 6.206) 11.336 3.285 ( -6.397 -0.923 -8.274) 10.499 3.434 ( 3.830 0.662 -1.448) 4.148 3.608 ( 4.192 16.636 9.993) 19.854 4.087 ( -1.868 7.068 -9.497) 11.985 4.385 ( 7.746 -10.162 9.021) 15.641 4.583 ( -12.028 -1.368 1.033) 12.149 4.752 ( 4.212 4.165 -2.603) 6.470 5.027 ( -8.695 2.753 -7.187) 11.612 5.279 ( 0.934 -5.907 5.375) 8.041 5.443 ( -1.655 -8.860 0.276) 9.017 7.078 ( 3.815 1.754 -1.967) 4.637 7.280 ( 5.002 -2.586 3.675) 6.724 7.312 ( 7.419 1.295 -4.795) 8.928 7.600 ( 7.516 3.797 -8.909) 12.259 8.369 ( 8.773 -0.447 38.755) 39.738 8.453 ( 9.592 -1.048 17.336) 19.840 8.745 ( 4.359 2.199 2.579) 5.521 8.859 ( 2.625 1.030 -0.017) 2.819 9.498 ( -0.759 0.388 -21.003) 21.021 9.556 ( 0.839 -4.277 -4.130) 6.005 9.676 ( -1.045 -5.767 2.272) 6.286 9.896 ( 3.369 -4.475 -8.053) 9.809 10.132 ( -5.622 3.133 -1.017) 6.516 10.288 ( -5.482 7.342 -0.204) 9.165 10.463 ( -12.307 -0.499 4.241) 13.027 10.867 ( -12.361 2.483 -9.087) 15.541 11.146 ( 1.251 -4.889 4.042) 6.466 11.321 ( -3.827 2.955 0.186) 4.839 11.516 ( 0.087 0.381 -4.514) 4.531 11.654 ( -1.206 2.876 1.943) 3.674 12.106 ( -6.127 -1.320 -8.075) 10.222 12.218 ( -5.020 0.951 -3.463) 6.172 12.326 ( 0.469 -6.322 7.911) 10.137 12.527 ( 6.610 2.613 6.644) 9.729 12.665 ( -1.518 5.192 -3.860) 6.646 12.756 ( -5.787 -1.788 -3.657) 7.076 12.988 ( -0.924 -9.599 -4.115) 10.485 13.285 ( -2.196 -7.577 -13.485) 15.623 13.404 ( -1.288 5.849 10.717) 12.278 13.613 ( -1.375 4.022 -4.586) 6.252 13.911 ( -6.475 3.007 -12.124) 14.070 14.031 ( -3.204 3.351 -5.397) 7.115 14.299 ( -6.549 4.199 3.202) 8.413 14.487 ( -12.167 5.716 -0.248) 13.445 14.650 ( -3.465 -2.054 0.130) 4.030 14.775 ( -6.540 6.381 -0.944) 9.186 15.015 ( 6.273 -8.103 -0.625) 10.267 15.248 ( -0.158 -4.335 -7.491) 8.657 15.335 ( -1.913 2.915 15.351) 15.742 15.477 ( -13.907 -0.358 -0.008) 13.911 15.656 ( 11.090 -2.121 -4.191) 12.044 15.875 ( -8.959 1.242 -7.500) 11.750 16.064 ( -6.595 0.761 -1.854) 6.893 16.165 ( -4.767 -7.473 -8.466) 12.257 16.763 ( -11.648 0.999 -5.952) 13.118 16.899 ( -6.250 4.468 -3.065) 8.272 17.008 ( -10.863 -2.252 -1.889) 11.254 17.153 ( -7.458 -2.981 -3.736) 8.858 18.805 ( 1.977 2.025 5.744) 6.403 18.889 ( 10.494 2.752 2.200) 11.070 18.970 ( 1.818 -2.476 1.044) 3.245 19.027 ( 4.765 -0.496 -1.962) 5.177 21.794 ( -12.927 0.618 16.508) 20.977 22.473 ( -3.212 -1.131 -15.522) 15.891 22.592 ( -20.032 -0.038 26.821) 33.477 23.642 ( -12.866 -0.203 -20.931) 24.570 24.818 ( 5.320 2.443 -0.888) 5.922 24.965 ( 2.351 -1.118 -6.570) 7.067 25.293 ( -0.583 -2.417 0.363) 2.513 25.400 ( -1.824 1.400 -4.139) 4.736======================= Grid point 235 (83/108) =======================q-point: ( 0.36 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.544 ( 3.872 0.596 0.361) 3.934 2.858 ( -10.886 0.507 -2.442) 11.168 3.048 ( -13.127 -5.412 -5.844) 15.354 3.482 ( -6.514 -2.575 -10.534) 12.650 3.829 ( 14.344 14.432 3.003) 20.568 3.922 ( -5.741 11.702 -6.120) 14.399 4.355 ( -7.760 1.270 7.171) 10.642 4.590 ( 4.184 -10.707 -0.178) 11.497 4.840 ( -1.744 3.790 4.412) 6.072 4.944 ( 8.231 3.819 -0.412) 9.083 5.277 ( -2.201 -6.344 5.425) 8.633 5.385 ( -3.595 -9.851 3.081) 10.930 7.176 ( 5.552 0.298 -3.260) 6.445 7.352 ( 2.987 0.479 -1.851) 3.547 7.460 ( 5.987 1.577 -5.814) 8.493 7.698 ( 1.529 2.644 -9.899) 10.359 8.555 ( 8.953 -1.369 35.401) 36.542 8.665 ( 9.587 -0.824 17.125) 19.643 8.874 ( 8.726 -2.421 3.255) 9.622 9.004 ( 12.214 0.079 -0.564) 12.228 9.511 ( 2.053 1.953 -12.686) 12.998 9.566 ( -4.421 -3.576 5.714) 8.061 9.580 ( -3.757 0.585 -2.892) 4.777 9.898 ( -5.070 3.618 -1.466) 6.398 10.067 ( -0.911 0.513 -1.126) 1.536 10.232 ( -0.325 -2.004 3.199) 3.789 10.286 ( -3.868 -0.449 -6.040) 7.186 10.629 ( -10.329 3.401 -10.037) 14.799 11.117 ( -1.480 5.310 -1.270) 5.657 11.290 ( -0.560 1.892 -2.817) 3.439 11.459 ( -4.172 -3.646 0.980) 5.627 11.637 ( -5.282 -5.762 -3.420) 8.532 11.989 ( -1.020 1.571 -4.405) 4.787 12.170 ( 0.811 2.052 -10.942) 11.162 12.362 ( 1.836 -4.083 12.476) 13.255 12.559 ( -8.727 2.842 -5.119) 10.509 12.606 ( -6.162 4.340 -2.342) 7.892 12.663 ( 4.118 1.272 0.995) 4.424 12.939 ( -4.143 -10.985 6.909) 13.623 13.109 ( -10.022 -12.783 -3.961) 16.719 13.435 ( -1.342 5.672 -7.697) 9.655 13.532 ( -2.501 0.088 -7.226) 7.647 13.746 ( -10.729 7.235 -13.070) 18.393 13.958 ( -3.927 0.697 -15.617) 16.118 14.208 ( -2.326 7.680 1.437) 8.152 14.319 ( -2.897 7.213 -0.762) 7.810 14.524 ( -7.411 1.838 -2.294) 7.973 14.631 ( -8.119 7.489 -4.172) 11.807 15.006 ( -7.146 -4.800 6.077) 10.537 15.115 ( -2.238 -8.202 1.932) 8.718 15.298 ( -0.296 -1.892 -0.824) 2.085 15.423 ( -2.124 -1.980 -1.003) 3.072 15.795 ( -0.148 -6.225 -1.332) 6.367 15.897 ( 7.848 -0.379 1.565) 8.011 15.999 ( 6.707 -7.571 -6.202) 11.865 16.237 ( 6.403 -1.882 -10.291) 12.266 16.550 ( -6.592 5.554 -5.062) 9.996 16.746 ( -8.390 6.684 -6.309) 12.445 16.806 ( -8.881 3.193 0.252) 9.441 17.016 ( -7.347 -2.886 -4.356) 9.016 18.798 ( -1.454 1.173 9.373) 9.557 18.938 ( -3.849 -3.153 5.643) 7.524 19.044 ( 4.800 1.366 -2.458) 5.563 19.122 ( 3.786 -0.656 -1.608) 4.165 21.613 ( -4.213 0.642 22.353) 22.755 22.180 ( -18.821 -0.227 30.624) 35.946 22.533 ( 7.489 -0.953 -21.250) 22.551 23.353 ( -15.168 0.922 -23.447) 27.940 24.924 ( 4.759 -0.331 -1.640) 5.045 25.018 ( 3.536 0.953 -6.167) 7.173 25.237 ( -4.578 -2.373 -0.266) 5.163 25.333 ( -4.422 1.452 -4.760) 6.658======================= Grid point 236 (84/108) =======================q-point: ( 0.45 0.25 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 220Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.715 ( 3.546 -1.397 -6.129) 7.217 2.764 ( 10.500 -0.837 -11.614) 15.680 2.814 ( -8.285 -4.512 -5.559) 10.949 3.142 ( -21.054 -2.274 -18.141) 27.884 3.995 ( 8.573 9.712 5.027) 13.896 4.131 ( 12.385 10.543 -0.863) 16.288 4.190 ( -5.958 7.490 5.817) 11.200 4.443 ( -13.580 6.269 -5.708) 16.010 4.972 ( 10.376 -8.859 9.330) 16.528 5.122 ( 3.782 -5.227 5.142) 8.250 5.190 ( -2.515 -5.078 3.275) 6.545 5.297 ( -5.530 -5.590 2.657) 8.299 7.292 ( 5.425 -1.781 -1.791) 5.984 7.372 ( -1.744 -2.121 0.210) 2.754 7.570 ( 5.402 5.063 -11.745) 13.884 7.670 ( -3.746 3.926 -11.373) 12.601 8.715 ( 6.258 -2.290 28.825) 29.585 8.778 ( 0.912 -3.169 21.859) 22.106 9.108 ( 13.263 -2.811 7.537) 15.511 9.295 ( 12.794 3.567 0.600) 13.296 9.373 ( -9.665 -2.702 10.547) 14.558 9.523 ( -6.152 2.410 -2.534) 7.076 9.575 ( 4.634 0.992 -10.237) 11.280 9.725 ( -9.593 3.741 -6.485) 12.168 10.101 ( 2.815 -0.143 4.119) 4.991 10.162 ( -3.360 -3.938 5.850) 7.811 10.336 ( 4.727 0.626 -7.836) 9.173 10.455 ( -6.955 1.495 -8.488) 11.075 11.170 ( 6.688 4.627 -4.181) 9.145 11.301 ( 2.403 1.759 -8.113) 8.643 11.341 ( -6.913 -0.936 -0.534) 6.997 11.453 ( -10.062 -2.117 -6.554) 12.193 12.078 ( 8.615 -1.937 -3.766) 9.600 12.238 ( 3.948 5.247 -7.884) 10.260 12.307 ( -8.815 -1.732 3.672) 9.705 12.369 ( -8.228 6.022 -2.699) 10.548 12.560 ( 6.465 -2.515 -3.565) 7.799 12.729 ( -2.689 -6.138 -1.014) 6.777 12.852 ( -1.410 -3.595 2.491) 4.595 12.940 ( -6.270 -9.348 -3.758) 11.866 13.335 ( -1.815 2.561 -3.201) 4.483 13.436 ( -10.315 0.098 -5.993) 11.930 13.688 ( 7.522 4.183 -14.263) 16.659 13.855 ( -7.210 2.795 -16.510) 18.231 14.211 ( 3.031 1.650 -2.735) 4.403 14.297 ( -3.122 0.567 -4.887) 5.827 14.415 ( -0.594 11.260 -3.832) 11.909 14.481 ( -5.628 11.600 -5.043) 13.844 14.956 ( 2.106 -5.325 4.065) 7.022 15.046 ( -5.232 -8.470 3.507) 10.555 15.306 ( 2.696 1.447 1.556) 3.433 15.380 ( -3.069 -8.281 -6.024) 10.690 15.813 ( 3.795 -13.620 6.973) 15.765 15.922 ( -4.764 -8.326 7.831) 12.383 16.238 ( 12.413 -0.112 -6.873) 14.189 16.349 ( 3.568 -0.353 -10.804) 11.384 16.530 ( -1.110 7.795 -2.511) 8.264 16.588 ( -6.619 9.734 -4.927) 12.761 16.680 ( 1.597 4.603 -6.356) 8.008 16.842 ( -9.593 -0.363 -6.941) 11.846 18.787 ( 1.016 -0.591 10.464) 10.530 18.845 ( -4.430 -2.313 9.039) 10.328 19.117 ( 2.822 -0.436 -4.659) 5.464 19.156 ( -0.537 -0.389 -3.307) 3.372 21.635 ( 6.133 0.591 28.271) 28.934 21.844 ( -13.898 0.187 31.178) 34.136 22.749 ( 13.066 -0.195 -24.032) 27.355 23.041 ( -15.209 0.677 -24.507) 28.851 25.016 ( 4.710 -1.784 -1.005) 5.136 25.106 ( 1.975 0.565 -3.895) 4.404 25.134 ( -2.234 -0.790 -3.064) 3.873 25.230 ( -5.494 1.517 -5.954) 8.243======================= Grid point 242 (85/108) =======================q-point: ( 0.00 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 96Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.010 ( 0.000 -4.755 13.525) 14.336 3.010 ( 0.000 4.755 13.525) 14.336 3.371 ( 0.000 -0.162 -7.379) 7.381 3.371 ( 0.000 0.162 -7.379) 7.381 3.867 ( 0.000 -0.195 28.202) 28.203 3.867 ( 0.000 0.195 28.202) 28.203 4.754 ( 0.000 -13.238 -4.853) 14.100 4.754 ( 0.000 13.238 -4.853) 14.100 5.074 ( 0.000 -13.758 -2.340) 13.955 5.074 ( 0.000 13.758 -2.340) 13.955 5.328 ( 0.000 -15.438 -9.690) 18.227 5.328 ( 0.000 15.438 -9.690) 18.227 6.928 ( 0.000 -3.669 13.057) 13.562 6.928 ( 0.000 3.669 13.057) 13.562 7.169 ( 0.000 -6.476 -2.428) 6.916 7.169 ( 0.000 6.476 -2.428) 6.916 8.202 ( 0.000 -2.454 28.957) 29.061 8.202 ( 0.000 2.454 28.957) 29.061 8.953 ( 0.000 -19.280 8.914) 21.240 8.953 ( 0.000 19.280 8.914) 21.240 9.201 ( 0.000 -20.254 -3.273) 20.517 9.201 ( 0.000 20.254 -3.273) 20.517 9.698 ( 0.000 -3.279 -29.827) 30.007 9.698 ( 0.000 3.279 -29.827) 30.007 10.764 ( 0.000 -4.783 0.358) 4.797 10.764 ( 0.000 4.783 0.358) 4.797 10.874 ( 0.000 -11.827 -3.148) 12.239 10.874 ( 0.000 11.827 -3.148) 12.239 11.512 ( 0.000 -0.325 10.326) 10.331 11.512 ( 0.000 0.325 10.326) 10.331 11.881 ( 0.000 -2.621 6.515) 7.023 11.881 ( 0.000 2.621 6.515) 7.023 12.071 ( 0.000 -5.710 -14.375) 15.467 12.071 ( 0.000 5.710 -14.375) 15.467 12.275 ( 0.000 -1.876 -7.612) 7.840 12.275 ( 0.000 1.876 -7.612) 7.840 12.739 ( 0.000 -0.040 5.083) 5.083 12.739 ( 0.000 0.040 5.083) 5.083 13.220 ( 0.000 -3.703 -8.368) 9.151 13.220 ( 0.000 3.703 -8.368) 9.151 13.410 ( 0.000 -0.477 8.892) 8.904 13.410 ( 0.000 0.477 8.892) 8.904 13.862 ( 0.000 -9.896 -7.716) 12.548 13.862 ( 0.000 9.896 -7.716) 12.548 14.510 ( 0.000 -3.162 5.743) 6.556 14.510 ( 0.000 3.162 5.743) 6.556 14.702 ( 0.000 -1.508 1.013) 1.817 14.702 ( 0.000 1.508 1.013) 1.817 15.200 ( 0.000 -5.260 -0.928) 5.341 15.200 ( 0.000 5.260 -0.928) 5.341 15.361 ( 0.000 -1.185 -1.237) 1.713 15.361 ( 0.000 1.185 -1.237) 1.713 16.482 ( 0.000 -0.575 12.087) 12.100 16.482 ( 0.000 0.575 12.087) 12.100 16.816 ( 0.000 -4.173 -1.490) 4.431 16.816 ( 0.000 4.173 -1.490) 4.431 17.344 ( 0.000 -1.327 -0.365) 1.377 17.344 ( 0.000 1.327 -0.365) 1.377 17.581 ( 0.000 -6.216 -6.592) 9.061 17.581 ( 0.000 6.216 -6.592) 9.061 18.176 ( 0.000 -3.874 7.987) 8.877 18.176 ( 0.000 3.874 7.987) 8.877 18.664 ( 0.000 -1.222 -12.811) 12.869 18.664 ( 0.000 1.222 -12.811) 12.869 22.848 ( 0.000 -4.381 17.209) 17.758 22.848 ( 0.000 4.381 17.209) 17.758 23.591 ( 0.000 -4.613 -15.560) 16.229 23.591 ( 0.000 4.613 -15.560) 16.229 24.831 ( 0.000 -0.820 5.707) 5.766 24.831 ( 0.000 0.820 5.707) 5.766 25.125 ( 0.000 -4.513 -6.566) 7.967 25.125 ( 0.000 4.513 -6.566) 7.967======================= Grid point 244 (86/108) =======================q-point: ( 0.09 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.034 ( 4.886 0.000 10.383) 11.476 3.077 ( -0.285 -0.000 16.022) 16.024 3.252 ( -4.102 0.000 -2.057) 4.589 3.365 ( -5.517 0.000 3.548) 6.559 3.770 ( 5.961 0.000 10.851) 12.380 4.083 ( 5.353 0.000 27.553) 28.068 4.533 ( -15.287 0.000 -13.983) 20.718 4.683 ( -4.841 0.000 9.404) 10.577 5.125 ( 3.798 -0.000 -9.325) 10.069 5.150 ( 2.078 0.000 0.430) 2.122 5.218 ( -9.229 0.000 -13.924) 16.705 5.348 ( 0.904 0.000 -5.833) 5.903 6.953 ( 3.823 0.000 10.603) 11.271 6.989 ( 3.783 -0.000 10.209) 10.887 7.153 ( 1.007 -0.000 -1.094) 1.487 7.269 ( 7.348 0.000 -5.141) 8.968 8.192 ( 0.232 -0.000 34.258) 34.258 8.220 ( 1.348 0.000 25.535) 25.570 8.844 ( -3.517 -0.000 8.571) 9.264 9.111 ( -5.127 0.000 -4.333) 6.713 9.159 ( 12.206 0.000 6.398) 13.781 9.280 ( 3.968 0.000 0.399) 3.989 9.605 ( -4.926 0.000 -28.930) 29.346 9.760 ( 2.135 -0.000 -31.752) 31.824 10.564 ( -11.078 0.000 5.864) 12.534 10.774 ( -1.769 0.000 2.299) 2.901 10.806 ( -6.368 -0.000 -1.381) 6.516 11.015 ( 7.860 0.000 -4.286) 8.953 11.184 ( -15.816 0.000 7.769) 17.621 11.690 ( -0.566 0.000 5.734) 5.762 11.703 ( -17.560 0.000 -12.403) 21.499 11.889 ( 6.389 0.000 9.725) 11.636 11.984 ( 4.788 0.000 7.646) 9.021 12.058 ( -3.700 -0.000 -9.032) 9.760 12.394 ( 2.911 -0.000 -2.552) 3.871 12.498 ( 11.501 0.000 -12.381) 16.899 12.612 ( 1.815 -0.000 -9.343) 9.517 12.882 ( -17.589 0.000 -11.712) 21.132 12.920 ( 5.615 0.000 8.893) 10.517 13.292 ( 2.200 0.000 11.642) 11.848 13.481 ( -0.008 -0.000 -6.004) 6.004 13.528 ( 8.215 0.000 7.711) 11.267 13.921 ( 3.583 0.000 -7.586) 8.390 13.931 ( 8.406 -0.000 -10.411) 13.381 14.431 ( -2.395 0.000 8.732) 9.054 14.610 ( 3.485 0.000 2.509) 4.294 14.675 ( -2.352 0.000 2.386) 3.351 14.696 ( 0.938 0.000 2.127) 2.325 15.148 ( -2.846 -0.000 -2.572) 3.836 15.271 ( 3.796 0.000 -0.458) 3.824 15.333 ( -1.718 0.000 -3.006) 3.463 15.349 ( -1.570 -0.000 0.650) 1.700 16.269 ( -14.696 0.000 13.965) 20.273 16.387 ( -13.945 0.000 8.978) 16.585 16.734 ( -6.547 0.000 -3.223) 7.297 16.781 ( -9.189 -0.000 -10.141) 13.685 17.125 ( -10.481 0.000 -0.003) 10.481 17.175 ( -15.548 0.000 8.498) 17.719 17.237 ( -15.517 0.000 -4.957) 16.290 17.647 ( -7.063 0.000 -9.426) 11.779 18.322 ( 17.624 0.000 2.789) 17.844 18.514 ( 18.086 -0.000 4.927) 18.746 18.580 ( 2.409 0.000 -9.174) 9.485 18.845 ( 7.567 0.000 -8.557) 11.423 22.487 ( -18.566 0.000 14.583) 23.609 23.075 ( 4.147 0.000 19.394) 19.833 23.087 ( -25.066 -0.000 -11.780) 27.696 23.869 ( 3.907 0.000 -16.054) 16.523 24.707 ( 0.279 0.000 2.419) 2.435 24.953 ( -6.465 -0.000 -6.438) 9.124 25.059 ( 10.151 0.000 4.258) 11.007 25.304 ( 7.490 0.000 -5.770) 9.454======================= Grid point 246 (87/108) =======================q-point: ( 0.18 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.865 ( -15.268 0.000 19.219) 24.546 3.128 ( 0.975 0.000 7.232) 7.297 3.270 ( 7.422 0.000 2.360) 7.788 3.378 ( 2.154 0.000 -1.889) 2.865 3.956 ( 8.870 0.000 1.008) 8.927 4.042 ( -6.329 -0.000 23.066) 23.919 4.243 ( -9.610 0.000 -9.230) 13.324 4.690 ( 3.267 0.000 12.411) 12.833 4.942 ( -15.476 -0.000 -19.355) 24.781 5.130 ( -2.929 0.000 1.870) 3.475 5.186 ( 1.354 0.000 -4.852) 5.037 5.357 ( -1.090 0.000 -4.630) 4.757 7.052 ( 2.398 -0.000 2.202) 3.255 7.074 ( 7.705 0.000 8.744) 11.654 7.215 ( 4.898 -0.000 -2.119) 5.336 7.457 ( 10.455 0.000 -9.007) 13.799 8.233 ( 4.157 0.000 39.122) 39.343 8.278 ( 4.960 0.000 22.253) 22.799 8.790 ( -1.967 0.000 5.204) 5.563 8.989 ( -6.592 0.000 -3.256) 7.352 9.363 ( 4.249 0.000 5.368) 6.847 9.428 ( 13.483 0.000 2.481) 13.710 9.523 ( -2.525 0.000 -27.773) 27.888 9.789 ( 0.975 0.000 -28.899) 28.915 10.347 ( -9.909 0.000 6.832) 12.036 10.618 ( -10.929 0.000 -1.045) 10.979 10.692 ( -9.751 0.000 10.593) 14.397 10.944 ( -2.867 0.000 6.208) 6.838 11.130 ( -0.812 0.000 -6.334) 6.386 11.425 ( -6.331 0.000 -12.446) 13.963 11.610 ( -6.056 0.000 0.764) 6.104 11.855 ( -7.356 0.000 -2.275) 7.700 12.088 ( 5.423 0.000 11.394) 12.618 12.151 ( 5.516 0.000 2.324) 5.985 12.330 ( -3.073 0.000 0.760) 3.166 12.571 ( -11.032 0.000 -9.074) 14.284 12.686 ( 5.913 -0.000 -10.703) 12.228 12.737 ( 5.430 0.000 -9.403) 10.858 12.923 ( -3.284 0.000 2.179) 3.941 13.330 ( -6.406 0.000 -12.175) 13.757 13.448 ( 3.711 0.000 18.947) 19.307 13.679 ( 4.958 0.000 -0.637) 4.999 13.988 ( 2.423 0.000 -11.014) 11.278 14.068 ( 2.646 0.000 -5.192) 5.828 14.406 ( -1.820 -0.000 8.761) 8.948 14.600 ( -2.710 0.000 4.816) 5.526 14.674 ( 4.680 0.000 -0.559) 4.713 14.756 ( 1.020 0.000 0.140) 1.030 15.053 ( -7.143 0.000 -1.474) 7.293 15.279 ( -3.934 -0.000 -3.900) 5.539 15.305 ( 2.866 0.000 3.751) 4.721 15.411 ( 7.796 0.000 -2.523) 8.194 15.894 ( -22.053 0.000 11.809) 25.015 16.116 ( -8.587 -0.000 -0.502) 8.602 16.394 ( -24.811 0.000 -10.664) 27.006 16.412 ( -22.217 -0.000 -10.663) 24.643 16.965 ( -6.963 0.000 6.652) 9.630 17.011 ( -2.333 -0.000 1.649) 2.857 17.042 ( -4.836 0.000 -0.241) 4.842 17.392 ( -15.435 0.000 -13.389) 20.432 18.665 ( 14.893 0.000 1.636) 14.983 18.721 ( 8.683 0.000 -0.369) 8.690 18.820 ( 11.220 0.000 1.242) 11.289 18.951 ( 2.980 0.000 -3.534) 4.623 22.117 ( -17.378 0.000 12.949) 21.672 22.654 ( -16.188 -0.000 -11.955) 20.124 22.966 ( -14.082 0.000 23.439) 27.344 23.822 ( -6.273 0.000 -15.614) 16.828 24.780 ( 4.175 0.000 -3.477) 5.433 24.895 ( 0.945 0.000 -5.356) 5.439 25.215 ( 4.940 0.000 2.903) 5.730 25.410 ( 2.755 0.000 -5.057) 5.759======================= Grid point 248 (88/108) =======================q-point: ( 0.27 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.607 ( -8.564 0.000 12.434) 15.098 3.070 ( -6.813 0.000 10.915) 12.866 3.270 ( -12.976 0.000 -15.403) 20.140 3.438 ( 6.508 -0.000 -2.022) 6.815 3.994 ( 3.758 0.000 12.276) 12.838 4.073 ( 6.558 -0.000 7.383) 9.875 4.255 ( 5.861 0.000 -3.933) 7.059 4.477 ( -19.842 -0.000 -12.344) 23.368 4.881 ( 5.474 -0.000 7.326) 9.146 5.072 ( -2.158 0.000 3.375) 4.006 5.186 ( -1.168 0.000 -2.907) 3.133 5.290 ( -5.041 -0.000 -1.923) 5.395 7.105 ( 3.116 -0.000 -1.598) 3.502 7.241 ( 7.867 0.000 8.385) 11.497 7.336 ( 6.838 0.000 -8.456) 10.875 7.648 ( 7.262 0.000 -11.658) 13.735 8.360 ( 7.999 0.000 39.988) 40.780 8.437 ( 10.576 0.000 17.899) 20.790 8.777 ( 1.160 0.000 2.113) 2.411 8.884 ( -1.917 0.000 -1.024) 2.174 9.454 ( 4.635 0.000 8.240) 9.455 9.509 ( 0.896 0.000 -24.409) 24.425 9.635 ( 3.714 0.000 -3.614) 5.182 9.840 ( 5.856 0.000 -13.526) 14.739 10.166 ( -7.468 -0.000 1.314) 7.583 10.409 ( -8.877 -0.000 -4.907) 10.143 10.426 ( -13.634 0.000 12.553) 18.533 10.901 ( -9.524 0.000 -6.484) 11.522 11.076 ( 4.780 0.000 4.991) 6.911 11.451 ( 3.890 0.000 -8.709) 9.538 11.455 ( -8.523 -0.000 -2.454) 8.870 11.675 ( -10.023 0.000 -5.516) 11.441 12.110 ( -5.834 -0.000 -1.770) 6.096 12.201 ( 5.583 0.000 14.499) 15.537 12.255 ( -5.266 0.000 -6.572) 8.421 12.563 ( 6.732 -0.000 2.018) 7.028 12.695 ( -3.584 0.000 1.016) 3.725 12.800 ( 1.520 0.000 -2.148) 2.631 12.866 ( -3.683 -0.000 -8.768) 9.510 13.125 ( -11.579 0.000 -9.813) 15.177 13.488 ( -1.003 0.000 9.125) 9.180 13.686 ( -4.476 0.000 -5.339) 6.967 14.000 ( -0.891 0.000 -16.283) 16.308 14.047 ( -4.480 -0.000 -5.236) 6.891 14.365 ( -0.708 -0.000 8.216) 8.246 14.508 ( -7.314 0.000 6.487) 9.776 14.703 ( -3.168 0.000 -1.221) 3.395 14.803 ( 2.013 0.000 1.396) 2.450 14.883 ( -5.590 0.000 -8.750) 10.384 15.202 ( -2.380 0.000 -4.486) 5.079 15.370 ( -17.272 0.000 18.493) 25.305 15.546 ( 8.732 0.000 -5.432) 10.284 15.623 ( 11.939 0.000 -6.314) 13.505 15.854 ( -22.052 0.000 -4.566) 22.519 16.007 ( -16.786 -0.000 -6.361) 17.951 16.104 ( 2.833 -0.000 -10.135) 10.524 16.807 ( -9.204 0.000 -0.654) 9.227 16.932 ( -4.269 0.000 1.557) 4.544 17.003 ( -1.671 0.000 0.060) 1.673 17.093 ( -12.994 -0.000 -11.008) 17.030 18.840 ( 2.404 0.000 7.193) 7.584 18.931 ( -0.476 -0.000 0.870) 0.992 18.934 ( 11.444 0.000 2.399) 11.692 19.011 ( 3.687 -0.000 -2.909) 4.696 21.803 ( -12.921 0.000 14.739) 19.601 22.459 ( -2.908 0.000 -16.661) 16.913 22.590 ( -20.802 0.000 28.886) 35.596 23.639 ( -11.570 0.000 -19.979) 23.087 24.854 ( 3.435 0.000 -2.581) 4.297 24.951 ( 3.552 0.000 -6.359) 7.284 25.259 ( -0.523 0.000 1.871) 1.943 25.417 ( -1.824 0.000 -4.940) 5.266======================= Grid point 250 (89/108) =======================q-point: ( 0.36 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.553 ( 3.532 0.000 0.210) 3.538 2.880 ( -10.149 0.000 7.045) 12.354 2.962 ( -14.760 0.000 -15.630) 21.498 3.444 ( -8.828 -0.000 -13.160) 15.847 4.099 ( -1.041 0.000 1.736) 2.024 4.232 ( 5.417 -0.000 -1.837) 5.720 4.259 ( 10.323 0.000 6.702) 12.308 4.319 ( -0.229 -0.000 0.941) 0.969 4.954 ( 0.348 0.000 9.801) 9.807 5.032 ( -3.124 -0.000 2.240) 3.844 5.161 ( -0.351 0.000 -1.917) 1.949 5.195 ( -2.797 0.000 0.348) 2.819 7.181 ( 4.252 0.000 -1.487) 4.504 7.355 ( 2.651 0.000 6.199) 6.743 7.488 ( 7.790 0.000 -13.237) 15.359 7.734 ( 1.514 0.000 -12.310) 12.403 8.534 ( 8.486 0.000 36.105) 37.088 8.653 ( 8.014 0.000 17.736) 19.463 8.841 ( 7.167 0.000 4.631) 8.533 9.006 ( 13.702 0.000 -1.395) 13.773 9.510 ( -2.452 0.000 12.355) 12.596 9.543 ( 2.046 0.000 -19.846) 19.951 9.594 ( -3.428 0.000 -4.109) 5.352 9.947 ( 0.631 0.000 -5.814) 5.848 10.077 ( -1.635 0.000 -1.576) 2.271 10.190 ( -8.727 -0.000 11.790) 14.668 10.292 ( -1.008 0.000 -7.697) 7.762 10.672 ( -11.094 0.000 -9.950) 14.902 11.217 ( 6.566 -0.000 6.087) 8.953 11.308 ( -4.761 0.000 -5.449) 7.236 11.469 ( -9.387 -0.000 -6.440) 11.384 11.479 ( -1.800 0.000 -5.467) 5.756 12.010 ( -2.524 0.000 -3.820) 4.579 12.212 ( 1.944 0.000 -14.020) 14.154 12.299 ( 3.428 -0.000 14.713) 15.107 12.623 ( -2.174 0.000 6.224) 6.593 12.633 ( -3.114 -0.000 -1.702) 3.549 12.738 ( -6.478 0.000 -10.104) 12.002 12.837 ( -15.827 -0.000 4.390) 16.425 12.849 ( 3.229 0.000 2.228) 3.923 13.507 ( 3.450 0.000 -8.393) 9.074 13.524 ( -9.749 -0.000 -5.878) 11.384 13.855 ( -13.997 0.000 -17.395) 22.327 13.979 ( -1.186 -0.000 -18.853) 18.890 14.333 ( -8.416 0.000 6.439) 10.597 14.350 ( -2.432 -0.000 2.748) 3.670 14.672 ( -0.504 0.000 -4.739) 4.766 14.706 ( -3.290 -0.000 6.414) 7.209 14.876 ( -1.104 -0.000 -11.454) 11.507 15.001 ( -13.565 0.000 9.981) 16.841 15.208 ( 1.818 -0.000 -9.071) 9.252 15.557 ( -5.393 0.000 12.017) 13.171 15.592 ( -11.642 -0.000 -7.578) 13.891 15.882 ( 4.460 0.000 4.915) 6.637 15.923 ( 16.803 0.000 -7.274) 18.310 16.215 ( 6.569 -0.000 -13.418) 14.940 16.626 ( -6.021 0.000 -5.091) 7.885 16.841 ( -4.935 -0.000 0.717) 4.986 16.875 ( -8.850 0.000 -7.989) 11.923 16.939 ( -4.737 0.000 -0.976) 4.836 18.831 ( -2.336 -0.000 12.105) 12.329 18.878 ( -3.816 0.000 3.721) 5.330 19.064 ( 1.931 -0.000 -4.903) 5.269 19.111 ( 5.398 0.000 -0.037) 5.398 21.622 ( -4.203 0.000 20.587) 21.012 22.179 ( -18.804 0.000 32.356) 37.423 22.518 ( 7.952 0.000 -21.665) 23.078 23.366 ( -14.918 0.000 -23.244) 27.619 24.919 ( 3.194 0.000 -1.068) 3.368 25.034 ( 4.706 0.000 -7.341) 8.720 25.205 ( -4.409 0.000 1.238) 4.579 25.350 ( -4.439 0.000 -5.711) 7.233======================= Grid point 252 (90/108) =======================q-point: ( 0.45 -0.50 0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 166Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.721 ( -4.324 0.000 -1.597) 4.609 2.732 ( 0.383 -0.000 -9.473) 9.481 2.750 ( 8.064 0.000 -12.417) 14.806 3.111 ( -19.907 -0.000 -18.673) 27.294 4.140 ( 5.468 0.000 7.115) 8.973 4.257 ( -5.151 0.000 5.816) 7.769 4.426 ( 7.769 0.000 -4.627) 9.042 4.442 ( 6.064 -0.000 -0.150) 6.066 4.907 ( -2.794 0.000 11.349) 11.688 4.931 ( -5.099 -0.000 7.122) 8.759 5.177 ( 1.007 -0.000 -1.889) 2.141 5.183 ( 0.290 0.000 -1.666) 1.691 7.271 ( 4.438 0.000 0.385) 4.455 7.348 ( -2.708 0.000 2.860) 3.939 7.635 ( 6.184 0.000 -14.056) 15.356 7.724 ( -2.456 0.000 -12.953) 13.184 8.681 ( 5.376 0.000 29.213) 29.703 8.731 ( 0.602 0.000 21.670) 21.679 9.077 ( 13.491 0.000 9.818) 16.685 9.333 ( -11.496 -0.000 12.989) 17.346 9.347 ( 17.025 0.000 -1.639) 17.103 9.550 ( -3.599 0.000 -5.458) 6.538 9.588 ( 3.323 0.000 -12.573) 13.005 9.783 ( -13.679 0.000 -6.016) 14.944 10.102 ( -0.210 -0.000 8.129) 8.131 10.102 ( 1.656 0.000 4.649) 4.935 10.345 ( 4.525 0.000 -7.913) 9.116 10.473 ( -8.222 0.000 -9.852) 12.832 11.275 ( 0.512 0.000 -4.834) 4.861 11.291 ( 0.307 0.000 1.389) 1.423 11.348 ( -1.064 0.000 -6.767) 6.850 11.400 ( -4.541 -0.000 -5.535) 7.160 12.057 ( 7.781 0.000 -4.727) 9.104 12.279 ( -9.132 0.000 3.278) 9.703 12.342 ( 10.082 0.000 -16.278) 19.147 12.475 ( -4.859 0.000 7.618) 9.035 12.530 ( -5.307 0.000 7.667) 9.324 12.560 ( -8.703 -0.000 -13.747) 16.271 12.781 ( 4.778 0.000 1.019) 4.886 12.866 ( -2.209 -0.000 1.485) 2.662 13.370 ( -3.618 0.000 -5.802) 6.838 13.439 ( -10.034 0.000 -12.831) 16.289 13.745 ( 6.556 0.000 -16.098) 17.381 13.908 ( -6.895 0.000 -16.900) 18.252 14.224 ( -0.979 0.000 2.737) 2.906 14.270 ( -4.204 -0.000 -0.249) 4.212 14.675 ( 0.816 0.000 -7.803) 7.845 14.688 ( -0.094 0.000 -1.091) 1.095 14.845 ( -1.468 -0.001 -2.461) 2.865 14.846 ( -2.621 0.001 6.016) 6.562 15.243 ( 2.714 -0.000 -9.684) 10.057 15.361 ( -9.155 0.000 -8.283) 12.346 15.616 ( 9.009 0.000 17.185) 19.403 15.827 ( -9.260 0.000 12.201) 15.317 16.238 ( 11.894 0.000 -7.257) 13.933 16.327 ( 2.851 -0.000 -12.280) 12.607 16.645 ( 6.395 0.000 -5.891) 8.695 16.730 ( -5.124 0.000 -2.366) 5.644 16.731 ( -4.266 -0.000 -6.936) 8.143 16.814 ( -7.408 0.000 -2.775) 7.911 18.787 ( -1.113 -0.000 11.860) 11.912 18.804 ( -2.722 0.000 7.796) 8.258 19.109 ( 2.546 0.000 -5.212) 5.801 19.152 ( -0.879 0.000 -3.582) 3.688 21.643 ( 6.006 0.000 27.518) 28.166 21.847 ( -13.562 0.000 31.879) 34.644 22.746 ( 13.718 0.000 -24.223) 27.838 23.050 ( -15.693 -0.000 -24.592) 29.173 24.995 ( 4.432 0.000 0.167) 4.435 25.099 ( -5.537 0.000 0.850) 5.602 25.138 ( 5.379 0.000 -7.667) 9.366 25.248 ( -5.372 0.000 -6.944) 8.780======================= Grid point 275 (91/108) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.076 ( 0.000 0.000 -10.127) 10.127 3.076 ( 0.000 0.000 10.127) 10.127 3.252 ( 0.000 0.000 -0.102) 0.102 3.252 ( 0.000 0.000 0.102) 0.102 4.293 ( 0.000 0.000 -6.956) 6.956 4.293 ( 0.000 0.000 6.956) 6.956 4.653 ( 0.000 0.000 -35.534) 35.534 4.653 ( 0.000 0.000 35.534) 35.534 4.769 ( 0.000 0.000 -9.092) 9.092 4.769 ( 0.000 0.000 9.092) 9.092 5.494 ( 0.000 0.000 -13.497) 13.497 5.494 ( 0.000 0.000 13.497) 13.497 7.077 ( 0.000 0.000 -4.449) 4.449 7.077 ( 0.000 0.000 4.449) 4.449 7.218 ( 0.000 0.000 -7.676) 7.676 7.218 ( 0.000 0.000 7.676) 7.676 8.558 ( 0.000 0.000 -3.854) 3.854 8.558 ( 0.000 0.000 3.854) 3.854 8.812 ( 0.000 0.000 -30.403) 30.403 8.812 ( 0.000 0.000 30.403) 30.403 9.077 ( 0.000 0.000 -39.640) 39.640 9.077 ( 0.000 0.000 39.640) 39.640 10.146 ( 0.000 0.000 -10.079) 10.079 10.146 ( 0.000 0.000 10.079) 10.079 10.195 ( 0.000 0.000 -3.426) 3.426 10.195 ( 0.000 0.000 3.426) 3.426 10.956 ( 0.000 0.000 -1.946) 1.946 10.956 ( 0.000 0.000 1.946) 1.946 11.585 ( 0.000 0.000 -10.097) 10.097 11.585 ( 0.000 0.000 10.097) 10.097 11.796 ( 0.000 0.000 -16.012) 16.012 11.796 ( 0.000 0.000 16.012) 16.012 12.009 ( 0.000 0.000 -8.311) 8.311 12.009 ( 0.000 0.000 8.311) 8.311 12.141 ( 0.000 0.000 -14.745) 14.745 12.141 ( 0.000 0.000 14.745) 14.745 12.892 ( 0.000 0.000 -6.377) 6.377 12.892 ( 0.000 0.000 6.377) 6.377 12.903 ( 0.000 0.000 -0.316) 0.316 12.903 ( 0.000 0.000 0.316) 0.316 13.462 ( 0.000 0.000 -2.662) 2.662 13.462 ( 0.000 0.000 2.662) 2.662 13.882 ( 0.000 0.000 -7.038) 7.038 13.882 ( 0.000 0.000 7.038) 7.038 14.777 ( 0.000 0.000 -15.831) 15.831 14.777 ( 0.000 0.000 15.831) 15.831 14.823 ( 0.000 0.000 -6.349) 6.349 14.823 ( 0.000 0.000 6.349) 6.349 15.101 ( 0.000 0.000 -15.513) 15.513 15.101 ( 0.000 0.000 15.513) 15.513 15.271 ( 0.000 0.000 -1.575) 1.575 15.271 ( 0.000 0.000 1.575) 1.575 16.496 ( 0.000 0.000 -9.560) 9.560 16.496 ( 0.000 0.000 9.560) 9.560 16.728 ( 0.000 0.000 -16.465) 16.465 16.728 ( 0.000 0.000 16.465) 16.465 17.428 ( 0.000 0.000 -3.423) 3.423 17.428 ( 0.000 0.000 3.423) 3.423 17.843 ( 0.000 0.000 -15.719) 15.719 17.843 ( 0.000 0.000 15.719) 15.719 18.079 ( 0.000 0.000 -7.553) 7.553 18.079 ( 0.000 0.000 7.553) 7.553 18.438 ( 0.000 0.000 -8.924) 8.924 18.438 ( 0.000 0.000 8.924) 8.924 23.036 ( 0.000 0.000 -18.490) 18.490 23.036 ( 0.000 0.000 18.490) 18.490 23.470 ( 0.000 0.000 -19.901) 19.901 23.470 ( 0.000 0.000 19.901) 19.901 24.840 ( 0.000 0.000 -3.904) 3.904 24.840 ( 0.000 0.000 3.904) 3.904 25.070 ( 0.000 0.000 -9.642) 9.642 25.070 ( 0.000 0.000 9.642) 9.642======================= Grid point 277 (92/108) =======================q-point: ( 0.09 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.067 ( 0.608 0.000 -5.862) 5.893 3.067 ( 0.608 0.000 5.862) 5.893 3.376 ( 9.175 0.000 -3.016) 9.658 3.376 ( 9.175 0.000 3.016) 9.658 4.042 ( -18.900 0.000 -14.849) 24.035 4.042 ( -18.900 0.000 14.849) 24.035 4.586 ( -3.602 0.000 -1.292) 3.827 4.586 ( -3.602 0.000 1.292) 3.827 4.933 ( 7.661 0.000 -14.249) 16.178 4.933 ( 7.661 0.000 14.249) 16.178 5.436 ( -4.076 0.000 -9.250) 10.108 5.436 ( -4.076 0.000 9.250) 10.108 7.106 ( 2.414 0.000 -1.881) 3.060 7.106 ( 2.414 0.000 1.881) 3.060 7.223 ( 0.729 0.000 -7.381) 7.417 7.223 ( 0.729 0.000 7.381) 7.417 8.587 ( 2.920 0.000 -2.000) 3.539 8.587 ( 2.920 0.000 2.000) 3.539 8.819 ( 0.578 0.000 -29.758) 29.763 8.819 ( 0.578 0.000 29.758) 29.763 9.086 ( 0.947 0.000 -37.782) 37.793 9.086 ( 0.947 0.000 37.782) 37.793 10.106 ( -3.530 0.000 -8.092) 8.828 10.106 ( -3.530 0.000 8.092) 8.828 10.170 ( -2.548 0.000 -2.559) 3.611 10.170 ( -2.548 0.000 2.559) 3.611 11.002 ( 3.504 0.000 -0.281) 3.515 11.002 ( 3.504 0.000 0.281) 3.515 11.329 ( -14.143 0.000 -9.275) 16.913 11.329 ( -14.143 0.000 9.275) 16.913 11.889 ( -8.119 0.000 -4.827) 9.446 11.889 ( -8.119 0.000 4.827) 9.446 12.034 ( 7.181 0.000 -7.322) 10.256 12.034 ( 7.181 0.000 7.322) 10.256 12.219 ( 10.645 0.000 -10.931) 15.257 12.219 ( 10.645 0.000 10.931) 15.257 12.789 ( -4.682 0.000 -0.284) 4.691 12.789 ( -4.682 0.000 0.284) 4.691 12.976 ( 1.627 0.000 -1.596) 2.279 12.976 ( 1.627 0.000 1.596) 2.279 13.509 ( 3.721 0.000 -0.442) 3.747 13.509 ( 3.721 0.000 0.442) 3.747 13.903 ( 1.542 0.000 -3.653) 3.966 13.903 ( 1.542 0.000 3.653) 3.966 14.774 ( -0.626 0.000 -10.391) 10.410 14.774 ( -0.626 0.000 10.391) 10.410 14.877 ( 4.633 0.000 -9.440) 10.516 14.877 ( 4.633 0.000 9.440) 10.516 15.000 ( -8.766 0.000 -15.691) 17.974 15.000 ( -8.766 0.000 15.691) 17.974 15.288 ( 1.480 0.000 -2.761) 3.132 15.288 ( 1.480 0.000 2.761) 3.132 16.391 ( -10.573 0.000 -8.804) 13.759 16.391 ( -10.573 0.000 8.804) 13.759 16.616 ( -11.050 0.000 -14.571) 18.287 16.616 ( -11.050 0.000 14.571) 18.287 17.194 ( -15.933 0.000 -1.791) 16.033 17.194 ( -15.933 0.000 1.791) 16.033 17.612 ( -16.087 0.000 -11.222) 19.615 17.612 ( -16.087 0.000 11.222) 19.615 18.314 ( 16.854 0.000 -2.092) 16.983 18.314 ( 16.854 0.000 2.092) 16.983 18.632 ( 13.223 0.000 -7.201) 15.057 18.632 ( 13.223 0.000 7.201) 15.057 22.776 ( -18.920 0.000 -15.587) 24.514 22.776 ( -18.920 0.000 15.587) 24.514 23.552 ( 1.545 0.000 -21.336) 21.392 23.552 ( 1.545 0.000 21.337) 21.392 24.774 ( -2.635 0.000 -2.634) 3.725 24.774 ( -2.635 0.000 2.634) 3.725 25.185 ( 7.546 0.000 -4.636) 8.856 25.185 ( 7.546 0.000 4.636) 8.857======================= Grid point 279 (93/108) =======================q-point: ( 0.18 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.094 ( -0.490 0.000 -1.924) 1.986 3.094 ( -0.490 0.000 1.924) 1.986 3.430 ( -7.677 0.000 -8.765) 11.652 3.430 ( -7.677 0.000 8.765) 11.652 3.780 ( -2.079 0.000 -6.797) 7.108 3.780 ( -2.079 0.000 6.797) 7.108 4.519 ( -1.482 0.000 -8.906) 9.029 4.519 ( -1.482 0.000 8.906) 9.029 4.945 ( -6.264 0.000 -12.548) 14.025 4.945 ( -6.264 0.000 12.548) 14.025 5.425 ( 3.384 0.000 -2.059) 3.961 5.425 ( 3.384 0.000 2.059) 3.961 7.126 ( -0.974 0.000 -6.438) 6.512 7.126 ( -0.974 0.000 6.438) 6.512 7.290 ( 6.381 0.000 -3.195) 7.137 7.290 ( 6.381 0.000 3.195) 7.137 8.672 ( 4.948 0.000 -1.510) 5.173 8.672 ( 4.948 0.000 1.510) 5.173 8.838 ( 1.819 0.000 -30.033) 30.088 8.838 ( 1.819 0.000 30.033) 30.088 9.117 ( 2.076 0.000 -33.779) 33.842 9.117 ( 2.076 0.000 33.779) 33.842 10.029 ( -3.472 0.000 -3.853) 5.187 10.029 ( -3.472 0.000 3.853) 5.187 10.094 ( -4.360 0.000 -1.340) 4.561 10.094 ( -4.360 0.000 1.340) 4.561 10.909 ( -13.633 0.000 -8.757) 16.203 10.909 ( -13.633 0.000 8.757) 16.203 11.247 ( 5.640 0.000 -4.110) 6.979 11.247 ( 5.640 0.000 4.110) 6.979 11.689 ( -9.186 0.000 -4.237) 10.117 11.689 ( -9.186 0.000 4.237) 10.117 12.088 ( -0.292 0.000 -1.948) 1.970 12.088 ( -0.292 0.000 1.948) 1.970 12.495 ( 11.724 0.000 -14.168) 18.390 12.495 ( 11.724 0.000 14.168) 18.390 12.707 ( -3.346 0.000 -5.690) 6.601 12.707 ( -3.346 0.000 5.690) 6.601 12.985 ( 0.516 0.000 -5.717) 5.741 12.985 ( 0.516 0.000 5.717) 5.741 13.576 ( 2.501 0.000 -3.125) 4.002 13.576 ( 2.501 0.000 3.125) 4.002 13.904 ( -2.544 0.000 -3.110) 4.018 13.904 ( -2.544 0.000 3.110) 4.018 14.640 ( -15.924 0.000 -10.666) 19.167 14.640 ( -15.924 0.000 10.666) 19.167 14.804 ( -5.074 0.000 -4.141) 6.549 14.804 ( -5.074 0.000 4.141) 6.549 15.043 ( 9.019 0.000 -11.712) 14.782 15.043 ( 9.019 0.000 11.712) 14.782 15.356 ( 6.273 0.000 -6.289) 8.883 15.356 ( 6.273 0.000 6.289) 8.883 16.067 ( -20.786 0.000 -1.231) 20.822 16.067 ( -20.786 0.000 1.231) 20.822 16.334 ( -13.773 0.000 -10.066) 17.059 16.334 ( -13.773 0.000 10.066) 17.059 16.908 ( -12.080 0.000 -0.082) 12.080 16.908 ( -12.080 0.000 0.082) 12.080 17.328 ( -11.485 0.000 -1.064) 11.534 17.328 ( -11.485 0.000 1.064) 11.534 18.639 ( 14.012 0.000 -0.511) 14.021 18.639 ( 14.012 0.000 0.511) 14.021 18.865 ( 9.197 0.000 -3.706) 9.915 18.865 ( 9.197 0.000 3.706) 9.915 22.403 ( -16.339 0.000 -13.879) 21.438 22.403 ( -16.339 0.000 13.879) 21.438 23.443 ( -11.458 0.000 -22.788) 25.507 23.443 ( -11.458 0.000 22.788) 25.507 24.781 ( 2.679 0.000 -6.338) 6.881 24.781 ( 2.679 0.000 6.338) 6.881 25.306 ( 3.736 0.000 -2.232) 4.352 25.306 ( 3.736 0.000 2.232) 4.352======================= Grid point 281 (94/108) =======================q-point: ( 0.27 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.897 ( -15.226 0.000 -15.121) 21.459 2.897 ( -15.226 0.000 15.121) 21.459 3.397 ( 4.306 0.000 -0.173) 4.310 3.397 ( 4.306 0.000 0.173) 4.310 3.694 ( -9.261 0.000 -17.952) 20.200 3.694 ( -9.261 0.000 17.952) 20.200 4.608 ( 8.687 0.000 -4.417) 9.745 4.608 ( 8.687 0.000 4.417) 9.745 4.770 ( -8.044 0.000 -10.623) 13.325 4.770 ( -8.044 0.000 10.623) 13.325 5.500 ( 2.593 0.000 -5.394) 5.985 5.500 ( 2.593 0.000 5.394) 5.985 7.108 ( 0.266 0.000 -7.132) 7.137 7.108 ( 0.266 0.000 7.132) 7.137 7.441 ( 7.180 0.000 -4.377) 8.409 7.441 ( 7.180 0.000 4.377) 8.409 8.765 ( 4.764 0.000 -0.151) 4.766 8.765 ( 4.764 0.000 0.151) 4.766 8.934 ( 7.812 0.000 -24.263) 25.490 8.934 ( 7.812 0.000 24.263) 25.490 9.168 ( 2.981 0.000 -30.246) 30.392 9.168 ( 2.981 0.000 30.246) 30.392 9.948 ( -5.219 0.000 -3.648) 6.367 9.948 ( -5.219 0.000 3.648) 6.367 10.046 ( 0.653 0.000 -4.207) 4.257 10.046 ( 0.653 0.000 4.207) 4.257 10.610 ( -14.289 0.000 -9.703) 17.272 10.610 ( -14.289 0.000 9.703) 17.272 11.280 ( -5.320 0.000 -7.025) 8.812 11.280 ( -5.320 0.000 7.025) 8.812 11.626 ( 3.924 0.000 -2.891) 4.874 11.626 ( 3.924 0.000 2.891) 4.874 12.028 ( -5.434 0.000 -1.751) 5.709 12.028 ( -5.434 0.000 1.751) 5.709 12.600 ( -2.714 0.000 -5.318) 5.970 12.600 ( -2.714 0.000 5.318) 5.970 12.651 ( -0.597 0.000 -1.634) 1.740 12.651 ( -0.597 0.000 1.634) 1.740 13.041 ( 4.074 0.000 -2.912) 5.007 13.041 ( 4.074 0.000 2.912) 5.007 13.601 ( -0.392 0.000 -10.514) 10.522 13.601 ( -0.392 0.000 10.514) 10.522 13.777 ( -9.456 0.000 -4.231) 10.359 13.777 ( -9.456 0.000 4.231) 10.359 14.299 ( -14.036 0.000 -3.483) 14.462 14.299 ( -14.036 0.000 3.483) 14.462 14.678 ( -8.130 0.000 -1.319) 8.236 14.678 ( -8.130 0.000 1.319) 8.236 15.215 ( 6.363 0.000 -5.738) 8.568 15.215 ( 6.363 0.000 5.738) 8.568 15.527 ( 1.866 0.000 -9.183) 9.371 15.527 ( 1.866 0.000 9.183) 9.371 15.645 ( -9.382 0.000 -8.473) 12.642 15.645 ( -9.382 0.000 8.473) 12.642 16.139 ( -5.070 0.000 -6.213) 8.019 16.139 ( -5.070 0.000 6.213) 8.019 16.685 ( -10.278 0.000 -5.530) 11.672 16.685 ( -10.278 0.000 5.530) 11.672 17.114 ( -10.368 0.000 -5.379) 11.681 17.114 ( -10.368 0.000 5.379) 11.681 18.854 ( 6.864 0.000 -2.030) 7.158 18.854 ( 6.864 0.000 2.030) 7.158 19.012 ( 5.451 0.000 -0.414) 5.467 19.012 ( 5.451 0.000 0.414) 5.467 22.150 ( -8.012 0.000 -16.654) 18.481 22.150 ( -8.012 0.000 16.654) 18.481 23.143 ( -16.839 0.000 -25.588) 30.632 23.143 ( -16.839 0.000 25.588) 30.632 24.849 ( 3.561 0.000 -5.088) 6.211 24.849 ( 3.561 0.000 5.088) 6.211 25.329 ( -1.346 0.000 -1.002) 1.678 25.329 ( -1.346 0.000 1.002) 1.678======================= Grid point 283 (95/108) =======================q-point: ( 0.36 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.656 ( -6.645 0.000 -9.928) 11.947 2.656 ( -6.645 0.000 9.928) 11.947 3.268 ( -17.439 0.000 -12.846) 21.659 3.268 ( -17.439 0.000 12.846) 21.659 3.684 ( 9.972 0.000 -1.173) 10.041 3.684 ( 9.972 0.000 1.173) 10.041 4.495 ( -12.604 0.000 -8.706) 15.318 4.495 ( -12.604 0.000 8.706) 15.318 4.926 ( 14.465 0.000 -1.581) 14.551 4.926 ( 14.465 0.000 1.581) 14.551 5.503 ( -2.564 0.000 -4.147) 4.875 5.503 ( -2.564 0.000 4.147) 4.875 7.162 ( 5.201 0.000 -4.701) 7.011 7.162 ( 5.201 0.000 4.701) 7.011 7.529 ( 0.641 0.000 -5.316) 5.355 7.529 ( 0.641 0.000 5.316) 5.355 8.924 ( 11.586 0.000 -2.118) 11.778 8.924 ( 11.586 0.000 2.118) 11.778 9.117 ( 9.098 0.000 -15.658) 18.109 9.117 ( 9.098 0.000 15.658) 18.109 9.237 ( 3.652 0.000 -26.462) 26.713 9.237 ( 3.652 0.000 26.462) 26.713 9.811 ( -9.069 0.000 -5.341) 10.525 9.811 ( -9.069 0.000 5.341) 10.525 10.092 ( 2.833 0.000 -5.470) 6.161 10.092 ( 2.833 0.000 5.470) 6.161 10.385 ( -6.219 0.000 -6.674) 9.122 10.385 ( -6.219 0.000 6.674) 9.123 11.134 ( -6.348 0.000 -7.167) 9.574 11.134 ( -6.348 0.000 7.167) 9.574 11.637 ( -8.275 0.000 -4.383) 9.365 11.637 ( -8.275 0.000 4.383) 9.365 11.966 ( 2.989 0.000 -5.119) 5.928 11.966 ( 2.989 0.000 5.120) 5.928 12.431 ( -10.594 0.000 -2.521) 10.890 12.431 ( -10.594 0.000 2.521) 10.890 12.708 ( 4.423 0.000 -7.783) 8.952 12.708 ( 4.423 0.000 7.783) 8.952 13.051 ( -4.519 0.000 -1.999) 4.942 13.051 ( -4.519 0.000 1.999) 4.942 13.536 ( -5.537 0.000 -8.504) 10.148 13.536 ( -5.537 0.000 8.505) 10.148 13.600 ( -6.296 0.000 -5.798) 8.559 13.600 ( -6.296 0.000 5.798) 8.559 14.123 ( -3.499 0.000 -2.715) 4.429 14.123 ( -3.499 0.000 2.715) 4.429 14.473 ( -11.652 0.000 -0.883) 11.686 14.473 ( -11.652 0.000 0.883) 11.686 15.220 ( -4.137 0.000 -6.848) 8.000 15.220 ( -4.137 0.000 6.848) 8.000 15.370 ( -1.946 0.000 -4.738) 5.122 15.370 ( -1.946 0.000 4.738) 5.122 15.881 ( 15.887 0.000 -3.824) 16.341 15.881 ( 15.887 0.000 3.824) 16.341 16.118 ( 2.668 0.000 -7.072) 7.559 16.118 ( 2.668 0.000 7.072) 7.559 16.483 ( -9.610 0.000 -7.529) 12.208 16.483 ( -9.610 0.000 7.529) 12.208 16.886 ( -12.409 0.000 -8.821) 15.225 16.886 ( -12.409 0.000 8.821) 15.225 18.939 ( 2.588 0.000 -5.936) 6.476 18.939 ( 2.588 0.000 5.936) 6.476 19.079 ( 0.814 0.000 -3.713) 3.801 19.079 ( 0.814 0.000 3.713) 3.801 22.089 ( 1.995 0.000 -22.363) 22.452 22.089 ( 1.995 0.000 22.363) 22.452 22.793 ( -17.000 0.000 -28.052) 32.801 22.793 ( -17.000 0.000 28.052) 32.801 24.926 ( 4.168 0.000 -2.113) 4.673 24.926 ( 4.168 0.000 2.113) 4.673 25.262 ( -4.952 0.000 -0.113) 4.953 25.262 ( -4.952 0.000 0.113) 4.953======================= Grid point 285 (96/108) =======================q-point: ( 0.45 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.657 ( 6.664 0.000 -0.916) 6.727 2.657 ( 6.664 0.000 0.916) 6.727 2.902 ( -16.459 0.000 -7.640) 18.146 2.902 ( -16.459 0.000 7.640) 18.146 3.935 ( 13.646 0.000 -2.827) 13.936 3.935 ( 13.646 0.000 2.827) 13.936 4.220 ( -14.105 0.000 -5.852) 15.271 4.220 ( -14.105 0.000 5.852) 15.271 5.199 ( 11.825 0.000 -0.834) 11.855 5.199 ( 11.825 0.000 0.834) 11.855 5.398 ( -7.616 0.000 -2.631) 8.058 5.398 ( -7.616 0.000 2.631) 8.058 7.306 ( 8.323 0.000 -3.536) 9.043 7.306 ( 8.323 0.000 3.536) 9.043 7.465 ( -6.354 0.000 -4.393) 7.725 7.465 ( -6.354 0.000 4.393) 7.725 9.217 ( 15.607 0.000 -4.401) 16.216 9.217 ( 15.607 0.000 4.402) 16.216 9.264 ( 5.378 0.000 -13.078) 14.141 9.264 ( 5.378 0.000 13.078) 14.141 9.295 ( 1.123 0.000 -21.031) 21.061 9.295 ( 1.123 0.000 21.031) 21.061 9.556 ( -15.494 0.000 -1.822) 15.601 9.556 ( -15.494 0.000 1.822) 15.601 10.180 ( 6.707 0.000 -5.558) 8.711 10.180 ( 6.707 0.000 5.558) 8.711 10.314 ( -4.373 0.000 -4.406) 6.208 10.314 ( -4.373 0.000 4.406) 6.208 11.113 ( 6.122 0.000 -4.900) 7.841 11.113 ( 6.122 0.000 4.900) 7.841 11.360 ( -15.617 0.000 -2.893) 15.882 11.360 ( -15.617 0.000 2.893) 15.882 12.085 ( 6.696 0.000 -0.657) 6.728 12.085 ( 6.696 0.000 0.657) 6.728 12.232 ( -8.369 0.000 -2.951) 8.874 12.232 ( -8.369 0.000 2.951) 8.874 12.801 ( 4.464 0.000 -11.557) 12.390 12.801 ( 4.464 0.000 11.557) 12.390 12.909 ( -6.915 0.000 -8.318) 10.817 12.909 ( -6.915 0.000 8.318) 10.817 13.461 ( -1.150 0.000 -5.766) 5.879 13.461 ( -1.150 0.000 5.766) 5.880 13.493 ( -4.036 0.000 -8.674) 9.567 13.493 ( -4.036 0.000 8.674) 9.567 14.129 ( 3.406 0.000 -1.711) 3.811 14.129 ( 3.406 0.000 1.711) 3.811 14.253 ( -8.842 0.000 -0.362) 8.849 14.253 ( -8.842 0.000 0.362) 8.849 15.222 ( 3.853 0.000 -10.540) 11.223 15.222 ( 3.853 0.000 10.540) 11.223 15.317 ( -4.209 0.000 -9.148) 10.070 15.317 ( -4.209 0.000 9.148) 10.070 16.139 ( 8.068 0.000 -1.661) 8.238 16.139 ( 8.069 0.000 1.661) 8.238 16.281 ( 6.756 0.000 -13.210) 14.838 16.281 ( 6.756 0.000 13.210) 14.838 16.308 ( -0.335 0.000 -6.478) 6.487 16.308 ( -0.335 0.000 6.478) 6.487 16.606 ( -15.013 0.000 -11.376) 18.836 16.606 ( -15.013 0.000 11.376) 18.836 18.991 ( 2.847 0.000 -7.984) 8.476 18.991 ( 2.847 0.000 7.984) 8.476 19.052 ( -2.786 0.000 -7.249) 7.767 19.052 ( -2.786 0.000 7.250) 7.767 22.216 ( 9.902 0.000 -27.039) 28.795 22.216 ( 9.902 0.000 27.039) 28.795 22.469 ( -14.592 0.000 -28.803) 32.288 22.469 ( -14.592 0.000 28.803) 32.288 25.024 ( 5.489 0.000 -0.110) 5.490 25.024 ( 5.489 0.000 0.110) 5.490 25.144 ( -6.185 0.000 -0.751) 6.231 25.144 ( -6.185 0.000 0.751) 6.231======================= Grid point 297 (97/108) =======================q-point: ( 0.00 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.140 ( 0.000 4.582 -9.651) 10.684 3.140 ( 0.000 4.582 9.651) 10.684 3.247 ( 0.000 -0.496 -4.137) 4.167 3.247 ( 0.000 -0.496 4.137) 4.167 4.305 ( 0.000 2.432 -13.267) 13.488 4.305 ( 0.000 2.432 13.267) 13.488 4.590 ( 0.000 -5.589 -32.245) 32.726 4.590 ( 0.000 -5.589 32.245) 32.726 4.886 ( 0.000 9.401 -6.424) 11.387 4.886 ( 0.000 9.401 6.424) 11.387 5.385 ( 0.000 -9.178 -11.575) 14.772 5.385 ( 0.000 -9.178 11.575) 14.772 7.076 ( 0.000 0.242 -4.227) 4.234 7.076 ( 0.000 0.242 4.227) 4.234 7.173 ( 0.000 -3.372 -6.745) 7.541 7.173 ( 0.000 -3.372 6.745) 7.541 8.722 ( 0.000 13.897 -4.363) 14.566 8.722 ( 0.000 13.897 4.363) 14.566 8.842 ( 0.000 2.624 -31.971) 32.078 8.842 ( 0.000 2.624 31.971) 32.078 9.030 ( 0.000 -3.755 -39.501) 39.679 9.030 ( 0.000 -3.755 39.501) 39.679 9.656 ( 0.000 -24.193 -5.847) 24.889 9.656 ( 0.000 -24.193 5.847) 24.889 10.565 ( 0.000 13.968 -1.433) 14.041 10.565 ( 0.000 13.968 1.433) 14.041 10.914 ( 0.000 -3.595 -3.499) 5.016 10.914 ( 0.000 -3.595 3.499) 5.016 11.653 ( 0.000 5.242 -10.399) 11.646 11.653 ( 0.000 5.242 10.399) 11.646 11.805 ( 0.000 0.185 -17.110) 17.111 11.805 ( 0.000 0.185 17.110) 17.111 12.028 ( 0.000 1.526 -8.606) 8.741 12.028 ( 0.000 1.526 8.606) 8.741 12.124 ( 0.000 -1.605 -13.388) 13.484 12.124 ( 0.000 -1.605 13.388) 13.484 12.924 ( 0.000 1.663 -8.735) 8.892 12.924 ( 0.000 1.663 8.735) 8.892 12.927 ( 0.000 2.401 -9.701) 9.993 12.927 ( 0.000 2.401 9.701) 9.993 13.500 ( 0.000 4.165 -6.012) 7.314 13.500 ( 0.000 4.165 6.012) 7.314 13.830 ( 0.000 -5.045 -9.831) 11.050 13.830 ( 0.000 -5.045 9.831) 11.050 14.712 ( 0.000 -6.815 -5.024) 8.467 14.712 ( 0.000 -6.815 5.024) 8.467 14.715 ( 0.000 -4.566 -11.137) 12.036 14.715 ( 0.000 -4.566 11.137) 12.036 15.168 ( 0.000 5.073 -10.598) 11.750 15.168 ( 0.000 5.073 10.598) 11.750 15.302 ( 0.000 1.072 -1.797) 2.092 15.302 ( 0.000 1.072 1.797) 2.092 16.579 ( 0.000 6.295 -8.657) 10.704 16.579 ( 0.000 6.295 8.657) 10.704 16.731 ( 0.000 0.021 -13.698) 13.698 16.731 ( 0.000 0.021 13.698) 13.698 17.409 ( 0.000 -1.202 -2.980) 3.213 17.409 ( 0.000 -1.202 2.980) 3.213 17.619 ( 0.000 -12.270 -12.337) 17.400 17.619 ( 0.000 -12.270 12.337) 17.400 18.257 ( 0.000 8.898 -12.439) 15.294 18.257 ( 0.000 8.898 12.439) 15.294 18.436 ( 0.000 -0.455 -10.236) 10.247 18.436 ( 0.000 -0.455 10.236) 10.247 23.088 ( 0.000 4.595 -18.353) 18.920 23.088 ( 0.000 4.595 18.353) 18.920 23.392 ( 0.000 -6.405 -19.171) 20.213 23.392 ( 0.000 -6.405 19.171) 20.213 24.885 ( 0.000 3.638 -5.181) 6.331 24.885 ( 0.000 3.638 5.181) 6.331 25.045 ( 0.000 -2.252 -9.068) 9.343 25.045 ( 0.000 -2.252 9.068) 9.343======================= Grid point 299 (98/108) =======================q-point: ( 0.09 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.125 ( 0.514 4.092 -5.500) 6.875 3.125 ( 0.514 4.092 5.500) 6.875 3.341 ( 5.548 -2.564 -4.604) 7.652 3.341 ( 5.548 -2.564 4.604) 7.652 4.089 ( -14.599 4.030 -16.854) 22.659 4.089 ( -14.599 4.030 16.854) 22.659 4.629 ( -0.797 2.224 -15.287) 15.468 4.629 ( -0.797 2.224 15.287) 15.468 4.934 ( 3.220 1.027 -9.057) 9.667 4.934 ( 3.220 1.027 9.057) 9.667 5.341 ( -2.880 -7.486 -7.894) 11.254 5.341 ( -2.880 -7.486 7.894) 11.254 7.106 ( 2.407 0.144 -2.336) 3.357 7.106 ( 2.407 0.144 2.336) 3.357 7.187 ( 1.707 -2.682 -7.098) 7.777 7.187 ( 1.707 -2.682 7.098) 7.777 8.732 ( 1.055 12.205 -2.029) 12.417 8.732 ( 1.055 12.205 2.029) 12.417 8.846 ( 0.097 2.273 -30.620) 30.705 8.846 ( 0.097 2.273 30.620) 30.705 9.046 ( 1.605 -3.181 -36.961) 37.132 9.046 ( 1.605 -3.181 36.961) 37.132 9.654 ( 0.137 -22.385 -3.940) 22.729 9.654 ( 0.137 -22.385 3.940) 22.729 10.519 ( -4.687 13.518 -2.086) 14.459 10.519 ( -4.687 13.518 2.086) 14.459 10.950 ( 3.074 -4.113 -1.211) 5.275 10.950 ( 3.074 -4.113 1.211) 5.275 11.374 ( -15.533 3.320 -10.852) 19.237 11.374 ( -15.533 3.320 10.852) 19.237 11.865 ( -6.339 -1.418 -11.045) 12.813 11.865 ( -6.339 -1.418 11.045) 12.813 12.108 ( 8.358 4.881 -8.659) 12.987 12.108 ( 8.358 4.881 8.659) 12.987 12.227 ( 10.257 0.357 -9.221) 13.797 12.227 ( 10.257 0.357 9.221) 13.797 12.709 ( -9.253 -4.677 -6.793) 12.395 12.709 ( -9.253 -4.677 6.793) 12.395 13.079 ( 3.003 6.309 -5.891) 9.140 13.079 ( 3.003 6.309 5.891) 9.140 13.544 ( 3.927 3.810 -4.704) 7.216 13.544 ( 3.927 3.810 4.704) 7.216 13.861 ( 2.592 -4.257 -6.417) 8.126 13.861 ( 2.592 -4.257 6.417) 8.126 14.706 ( -0.997 -6.065 -6.303) 8.803 14.706 ( -0.997 -6.065 6.303) 8.803 14.741 ( 2.406 -6.056 -3.534) 7.413 14.741 ( 2.406 -6.056 3.534) 7.413 15.111 ( -4.662 6.662 -8.693) 11.903 15.111 ( -4.662 6.662 8.693) 11.903 15.319 ( 1.406 1.139 -0.703) 1.941 15.319 ( 1.406 1.139 0.703) 1.941 16.465 ( -11.548 5.338 -9.501) 15.878 16.465 ( -11.548 5.338 9.501) 15.878 16.607 ( -12.777 -0.743 -12.261) 17.724 16.607 ( -12.777 -0.743 12.261) 17.724 17.171 ( -13.906 -1.582 -2.242) 14.174 17.171 ( -13.906 -1.582 2.242) 14.174 17.509 ( -12.796 -7.053 -11.226) 18.426 17.509 ( -12.796 -7.053 11.226) 18.426 18.371 ( 13.290 3.575 -5.052) 14.661 18.371 ( 13.290 3.575 5.052) 14.661 18.647 ( 13.210 1.060 -7.808) 15.381 18.647 ( 13.210 1.060 7.808) 15.381 22.788 ( -20.251 0.896 -15.242) 25.362 22.788 ( -20.251 0.896 15.242) 25.362 23.520 ( 3.437 -2.267 -20.382) 20.793 23.520 ( 3.437 -2.267 20.382) 20.793 24.792 ( -3.731 1.299 -4.342) 5.870 24.792 ( -3.731 1.299 4.342) 5.870 25.180 ( 8.029 -0.392 -5.240) 9.595 25.180 ( 8.029 -0.392 5.240) 9.595======================= Grid point 301 (99/108) =======================q-point: ( 0.18 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.142 ( -2.567 3.552 -5.267) 6.852 3.142 ( -2.567 3.552 5.267) 6.852 3.345 ( -3.938 -5.696 -8.473) 10.943 3.345 ( -3.938 -5.696 8.473) 10.943 3.904 ( -2.348 9.506 -6.201) 11.591 3.904 ( -2.348 9.506 6.201) 11.591 4.545 ( -5.488 0.333 -14.255) 15.278 4.545 ( -5.488 0.333 14.255) 15.278 4.938 ( -2.860 0.541 -13.179) 13.497 4.938 ( -2.860 0.541 13.179) 13.497 5.336 ( 2.425 -6.879 -3.992) 8.315 5.336 ( 2.425 -6.879 3.992) 8.315 7.131 ( 0.001 0.304 -5.681) 5.689 7.131 ( 0.001 0.304 5.681) 5.689 7.278 ( 7.150 -0.866 -6.708) 9.842 7.278 ( 7.150 -0.866 6.708) 9.842 8.752 ( 0.216 6.135 -3.448) 7.041 8.752 ( 0.216 6.135 3.448) 7.041 8.860 ( 2.582 2.315 -29.232) 29.437 8.860 ( 2.581 2.315 29.233) 29.437 9.092 ( 2.809 -1.938 -33.406) 33.580 9.092 ( 2.809 -1.938 33.406) 33.580 9.682 ( 2.916 -16.385 -0.672) 16.656 9.682 ( 2.916 -16.385 0.672) 16.656 10.380 ( -8.440 11.169 -4.427) 14.682 10.380 ( -8.440 11.169 4.427) 14.682 10.920 ( -10.405 0.400 -8.462) 13.417 10.920 ( -10.405 0.400 8.462) 13.417 11.195 ( 1.566 -2.887 -6.433) 7.223 11.195 ( 1.566 -2.887 6.433) 7.223 11.701 ( -8.469 0.458 -8.835) 12.247 11.701 ( -8.469 0.458 8.835) 12.247 12.173 ( -0.887 6.762 -9.356) 11.578 12.173 ( -0.887 6.762 9.356) 11.578 12.484 ( 10.515 -1.460 -14.629) 18.075 12.484 ( 10.515 -1.460 14.629) 18.075 12.588 ( -1.205 -7.448 -4.724) 8.902 12.588 ( -1.205 -7.448 4.724) 8.902 13.056 ( -4.005 3.026 -6.263) 8.027 13.056 ( -4.005 3.026 6.263) 8.027 13.619 ( 2.395 5.138 -0.914) 5.742 13.619 ( 2.395 5.138 0.914) 5.742 13.897 ( -0.260 -1.366 -4.107) 4.336 13.897 ( -0.260 -1.366 4.107) 4.336 14.620 ( -8.476 -1.548 -4.836) 9.880 14.620 ( -8.476 -1.548 4.836) 9.880 14.791 ( 0.449 -4.669 -4.767) 6.688 14.791 ( 0.449 -4.669 4.767) 6.688 15.037 ( -0.364 4.690 -8.336) 9.572 15.037 ( -0.364 4.690 8.336) 9.572 15.381 ( 5.743 0.236 -2.084) 6.114 15.381 ( 5.743 0.236 2.084) 6.114 16.110 ( -22.447 3.225 -8.063) 24.069 16.110 ( -22.447 3.225 8.063) 24.069 16.278 ( -16.089 -4.432 -8.815) 18.873 16.278 ( -16.089 -4.432 8.815) 18.873 16.948 ( -9.077 3.668 -3.697) 10.465 16.948 ( -9.077 3.668 3.697) 10.465 17.251 ( -10.680 -6.087 -4.388) 13.053 17.251 ( -10.680 -6.087 4.388) 13.053 18.670 ( 13.981 2.164 -1.119) 14.191 18.670 ( 13.981 2.164 1.119) 14.191 18.870 ( 8.271 0.262 -3.602) 9.025 18.870 ( 8.271 0.262 3.602) 9.025 22.397 ( -16.951 -0.400 -13.432) 21.632 22.397 ( -16.951 -0.400 13.432) 21.632 23.439 ( -10.496 -0.262 -21.832) 24.225 23.439 ( -10.496 -0.262 21.832) 24.225 24.786 ( 2.346 0.297 -4.791) 5.342 24.786 ( 2.346 0.297 4.791) 5.342 25.303 ( 3.678 -0.181 -3.663) 5.194 25.303 ( 3.678 -0.181 3.663) 5.194======================= Grid point 303 (100/108) =======================q-point: ( 0.27 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.909 ( -15.164 0.866 -15.648) 21.807 2.909 ( -15.164 0.866 15.648) 21.807 3.355 ( 0.392 -3.398 -6.865) 7.670 3.355 ( 0.392 -3.398 6.865) 7.670 3.842 ( -4.565 13.200 -12.180) 18.532 3.842 ( -4.565 13.200 12.180) 18.532 4.512 ( 2.296 -9.505 -3.909) 10.531 4.512 ( 2.296 -9.505 3.909) 10.531 4.872 ( -2.029 8.923 -7.787) 12.015 4.872 ( -2.029 8.923 7.787) 12.015 5.388 ( 1.573 -9.224 -4.674) 10.459 5.388 ( 1.573 -9.224 4.674) 10.459 7.139 ( 1.542 2.152 -6.813) 7.310 7.139 ( 1.542 2.152 6.813) 7.310 7.435 ( 7.086 -0.481 -7.250) 10.149 7.435 ( 7.086 -0.481 7.250) 10.149 8.767 ( 3.036 0.213 -4.232) 5.213 8.767 ( 3.036 0.213 4.232) 5.213 8.960 ( 6.582 2.127 -22.164) 23.218 8.960 ( 6.582 2.127 22.164) 23.218 9.156 ( 3.469 -1.008 -30.718) 30.930 9.156 ( 3.469 -1.008 30.718) 30.930 9.766 ( 4.568 -8.632 -5.328) 11.125 9.766 ( 4.568 -8.632 5.328) 11.125 10.206 ( -7.842 6.694 -5.727) 11.794 10.206 ( -7.842 6.694 5.727) 11.794 10.648 ( -13.678 2.876 -10.847) 17.692 10.648 ( -13.678 2.876 10.847) 17.692 11.258 ( 0.033 -1.135 -6.197) 6.300 11.258 ( 0.033 -1.135 6.197) 6.300 11.572 ( -2.614 -3.959 -7.604) 8.963 11.572 ( -2.614 -3.959 7.604) 8.963 12.087 ( -6.559 3.894 -4.626) 8.921 12.087 ( -6.559 3.894 4.626) 8.921 12.566 ( 1.658 -2.359 -10.471) 10.861 12.566 ( 1.658 -2.359 10.471) 10.861 12.653 ( 0.711 1.046 -2.632) 2.920 12.653 ( 0.711 1.046 2.632) 2.920 12.989 ( -0.671 -5.842 -9.667) 11.315 12.989 ( -0.671 -5.842 9.667) 11.315 13.610 ( -3.638 4.010 -3.749) 6.586 13.610 ( -3.638 4.010 3.749) 6.586 13.818 ( -7.716 1.008 -9.721) 12.452 13.818 ( -7.716 1.008 9.721) 12.452 14.406 ( -9.957 8.325 -5.979) 14.290 14.406 ( -9.957 8.325 5.979) 14.290 14.707 ( -7.396 0.980 -4.205) 8.564 14.707 ( -7.396 0.980 4.205) 8.564 15.109 ( 4.837 -6.577 -6.571) 10.481 15.109 ( 4.837 -6.577 6.571) 10.481 15.549 ( 3.124 -1.571 -5.663) 6.655 15.549 ( 3.124 -1.571 5.663) 6.655 15.661 ( -12.014 4.262 -13.400) 18.495 15.661 ( -12.014 4.262 13.400) 18.495 16.040 ( -6.649 -7.649 -1.900) 10.311 16.040 ( -6.649 -7.649 1.900) 10.311 16.769 ( -8.798 6.304 -5.394) 12.093 16.769 ( -8.798 6.304 5.394) 12.093 17.068 ( -8.229 -3.987 -4.637) 10.253 17.068 ( -8.229 -3.987 4.637) 10.253 18.886 ( 6.370 2.534 -2.113) 7.173 18.886 ( 6.370 2.534 2.113) 7.173 18.996 ( 4.861 -1.411 -1.254) 5.214 18.996 ( 4.861 -1.411 1.254) 5.214 22.135 ( -8.203 -0.999 -16.109) 18.105 22.135 ( -8.203 -0.999 16.109) 18.105 23.153 ( -16.415 0.697 -25.450) 30.293 23.153 ( -16.415 0.697 25.450) 30.293 24.851 ( 3.570 0.131 -3.844) 5.248 24.851 ( 3.570 0.131 3.844) 5.248 25.325 ( -1.426 -0.313 -2.708) 3.076 25.325 ( -1.426 -0.313 2.708) 3.076======================= Grid point 305 (101/108) =======================q-point: ( 0.36 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( -7.504 0.654 -10.088) 12.590 2.664 ( -7.504 0.654 10.088) 12.590 3.187 ( -15.712 -5.220 -13.654) 21.460 3.187 ( -15.712 -5.220 13.654) 21.460 3.871 ( 7.839 14.621 -1.175) 16.631 3.871 ( 7.839 14.621 1.175) 16.631 4.496 ( -5.770 -3.325 -6.503) 9.308 4.496 ( -5.770 -3.325 6.503) 9.308 4.934 ( 8.102 3.261 -2.696) 9.141 4.934 ( 8.102 3.261 2.696) 9.141 5.380 ( -2.503 -10.050 -3.377) 10.894 5.380 ( -2.503 -10.050 3.377) 10.894 7.209 ( 5.369 3.297 -6.026) 8.718 7.209 ( 5.369 3.297 6.026) 8.718 7.522 ( 0.905 -0.586 -6.736) 6.822 7.522 ( 0.905 -0.586 6.736) 6.822 8.918 ( 11.607 -0.418 -1.904) 11.770 8.918 ( 11.607 -0.418 1.904) 11.770 9.111 ( 8.110 -0.356 -16.617) 18.494 9.111 ( 8.110 -0.356 16.617) 18.494 9.229 ( 3.367 -0.687 -26.343) 26.567 9.229 ( 3.367 -0.687 26.343) 26.567 9.786 ( -5.143 -1.621 -8.348) 9.938 9.786 ( -5.143 -1.621 8.348) 9.938 10.120 ( 0.823 1.862 -6.115) 6.445 10.120 ( 0.823 1.862 6.115) 6.445 10.415 ( -8.400 1.992 -9.831) 13.083 10.415 ( -8.400 1.992 9.831) 13.083 11.181 ( -4.841 4.508 -5.931) 8.885 11.181 ( -4.841 4.508 5.931) 8.885 11.542 ( -4.425 -7.834 -5.300) 10.443 11.542 ( -4.425 -7.834 5.300) 10.443 11.983 ( -1.162 1.525 -4.435) 4.832 11.983 ( -1.162 1.525 4.435) 4.832 12.501 ( -7.543 4.937 -2.260) 9.294 12.501 ( -7.543 4.937 2.260) 9.294 12.664 ( 1.436 -2.308 -8.933) 9.337 12.664 ( 1.436 -2.308 8.933) 9.337 12.981 ( -3.124 -7.001 -7.581) 10.782 12.981 ( -3.124 -7.001 7.581) 10.782 13.491 ( -6.287 0.685 -4.307) 7.652 13.491 ( -6.287 0.685 4.308) 7.652 13.635 ( -7.906 0.006 -9.004) 11.983 13.635 ( -7.906 0.006 9.004) 11.983 14.271 ( -3.518 11.637 -4.156) 12.848 14.271 ( -3.518 11.637 4.156) 12.848 14.532 ( -9.317 3.627 -3.820) 10.703 14.532 ( -9.317 3.627 3.820) 10.703 15.160 ( -0.435 -8.484 -4.029) 9.402 15.160 ( -0.435 -8.484 4.029) 9.402 15.292 ( -9.214 -1.958 -8.438) 12.646 15.292 ( -9.214 -1.958 8.438) 12.646 15.887 ( 14.998 0.176 -5.359) 15.927 15.887 ( 14.998 0.176 5.359) 15.927 16.001 ( 2.187 -7.115 -7.912) 10.863 16.001 ( 2.187 -7.115 7.912) 10.863 16.594 ( -7.922 6.712 -6.939) 12.488 16.594 ( -7.922 6.712 6.939) 12.488 16.892 ( -9.430 0.263 -6.311) 11.350 16.892 ( -9.430 0.263 6.311) 11.350 18.949 ( 1.349 0.822 -5.645) 5.861 18.949 ( 1.349 0.822 5.645) 5.861 19.060 ( 0.799 -1.449 -4.932) 5.202 19.060 ( 0.799 -1.449 4.932) 5.202 22.077 ( 2.359 -0.855 -21.872) 22.016 22.077 ( 2.359 -0.855 21.872) 22.016 22.807 ( -17.028 0.975 -28.282) 33.027 22.807 ( -17.028 0.975 28.282) 33.027 24.928 ( 4.146 0.147 -2.241) 4.716 24.928 ( 4.146 0.147 2.241) 4.716 25.257 ( -4.903 -0.343 -2.310) 5.431 25.257 ( -4.903 -0.343 2.310) 5.431======================= Grid point 307 (102/108) =======================q-point: ( 0.45 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.637 ( 5.027 -1.280 -0.718) 5.237 2.637 ( 5.027 -1.280 0.718) 5.237 2.851 ( -15.084 -3.516 -8.544) 17.689 2.851 ( -15.084 -3.516 8.544) 17.689 4.082 ( 11.655 11.521 -3.303) 16.717 4.082 ( 11.655 11.521 3.303) 16.717 4.316 ( -10.863 6.460 -6.051) 14.012 4.316 ( -10.863 6.460 6.051) 14.012 5.124 ( 9.304 -5.276 -4.321) 11.536 5.124 ( 9.304 -5.276 4.321) 11.536 5.287 ( -6.480 -8.878 -3.694) 11.595 5.287 ( -6.480 -8.878 3.694) 11.595 7.343 ( 7.227 2.590 -5.868) 9.663 7.343 ( 7.227 2.590 5.868) 9.663 7.475 ( -5.030 0.635 -6.125) 7.951 7.475 ( -5.030 0.635 6.125) 7.951 9.169 ( 9.906 -2.444 -10.691) 14.778 9.169 ( 9.906 -2.444 10.691) 14.778 9.263 ( 0.128 -1.751 -20.368) 20.444 9.263 ( 0.128 -1.751 20.368) 20.444 9.303 ( 10.953 1.447 -6.650) 12.896 9.303 ( 10.953 1.447 6.650) 12.896 9.576 ( -13.562 1.280 -7.889) 15.742 9.576 ( -13.562 1.280 7.889) 15.742 10.193 ( 5.079 1.122 -4.913) 7.154 10.193 ( 5.079 1.122 4.913) 7.154 10.300 ( -4.650 -1.106 -6.207) 7.834 10.300 ( -4.650 -1.106 6.207) 7.834 11.162 ( 4.703 4.038 -3.724) 7.232 11.162 ( 4.703 4.038 3.724) 7.232 11.354 ( -11.897 -0.958 -2.417) 12.178 11.354 ( -11.897 -0.958 2.417) 12.178 12.072 ( 8.997 -0.433 -4.708) 10.163 12.072 ( 8.997 -0.433 4.708) 10.163 12.303 ( -11.986 4.361 -2.020) 12.914 12.303 ( -11.986 4.361 2.020) 12.914 12.707 ( 4.230 -5.294 -7.230) 9.909 12.707 ( 4.230 -5.294 7.230) 9.909 12.845 ( -8.316 -5.056 -2.592) 10.072 12.845 ( -8.316 -5.056 2.592) 10.072 13.443 ( 1.661 -0.861 -9.601) 9.782 13.443 ( 1.661 -0.861 9.601) 9.782 13.516 ( -4.657 0.702 -12.406) 13.270 13.516 ( -4.657 0.702 12.406) 13.270 14.256 ( 2.092 9.893 -4.723) 11.160 14.256 ( 2.092 9.893 4.723) 11.160 14.354 ( -7.385 7.202 -4.243) 11.154 14.354 ( -7.385 7.202 4.243) 11.154 15.144 ( 0.830 -6.590 -9.483) 11.578 15.144 ( 0.830 -6.590 9.483) 11.578 15.192 ( -3.202 -8.805 -5.847) 11.044 15.192 ( -3.202 -8.805 5.847) 11.044 16.079 ( 5.632 -5.333 -13.649) 15.699 16.079 ( 5.632 -5.333 13.649) 15.699 16.129 ( 4.260 -3.179 -7.328) 9.053 16.129 ( 4.260 -3.179 7.328) 9.053 16.507 ( 2.345 7.871 -2.071) 8.470 16.507 ( 2.345 7.871 2.071) 8.470 16.680 ( -11.127 4.806 -6.520) 13.763 16.680 ( -11.127 4.806 6.520) 13.763 18.980 ( 2.158 -0.712 -7.993) 8.309 18.980 ( 2.158 -0.712 7.993) 8.309 19.034 ( -2.662 -1.343 -8.053) 8.587 19.034 ( -2.662 -1.343 8.053) 8.588 22.214 ( 10.497 -0.118 -26.713) 28.702 22.214 ( 10.497 -0.118 26.713) 28.702 22.478 ( -15.018 0.637 -28.814) 32.499 22.478 ( -15.018 0.637 28.814) 32.499 25.024 ( 5.359 0.034 -2.160) 5.778 25.024 ( 5.359 0.034 2.160) 5.778 25.142 ( -6.035 -0.187 -2.381) 6.490 25.142 ( -6.035 -0.187 2.381) 6.490======================= Grid point 319 (103/108) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.221 ( 0.000 -1.612 -7.629) 7.798 3.221 ( 0.000 1.612 -7.629) 7.798 3.221 ( 0.000 -1.612 7.630) 7.798 3.221 ( 0.000 1.612 7.630) 7.798 4.428 ( 0.000 -6.030 -23.696) 24.451 4.428 ( 0.000 6.030 -23.696) 24.451 4.428 ( 0.000 -6.030 23.696) 24.451 4.428 ( 0.000 6.030 23.696) 24.451 5.135 ( 0.000 -11.894 -7.472) 14.046 5.135 ( 0.000 -11.894 7.472) 14.046 5.135 ( 0.000 11.894 -7.472) 14.046 5.135 ( 0.000 11.894 7.472) 14.046 7.103 ( 0.000 -2.366 -4.761) 5.317 7.103 ( 0.000 2.366 -4.761) 5.317 7.103 ( 0.000 -2.366 4.761) 5.317 7.103 ( 0.000 2.366 4.761) 5.317 8.921 ( 0.000 -3.846 -33.244) 33.466 8.921 ( 0.000 3.846 -33.244) 33.466 8.921 ( 0.000 -3.846 33.244) 33.466 8.921 ( 0.000 3.846 33.244) 33.466 9.139 ( 0.000 -21.185 -6.954) 22.297 9.139 ( 0.000 -21.185 6.954) 22.297 9.139 ( 0.000 21.185 -6.954) 22.297 9.139 ( 0.000 21.185 6.954) 22.297 10.796 ( 0.000 -7.189 -2.962) 7.776 10.796 ( 0.000 -7.189 2.962) 7.776 10.796 ( 0.000 7.189 -2.962) 7.776 10.796 ( 0.000 7.190 2.962) 7.776 11.767 ( 0.000 -1.868 -13.819) 13.944 11.767 ( 0.000 1.869 -13.819) 13.944 11.767 ( 0.000 -1.868 13.819) 13.944 11.767 ( 0.000 1.868 13.819) 13.944 12.075 ( 0.000 -1.777 -10.554) 10.703 12.075 ( 0.000 1.777 -10.554) 10.703 12.075 ( 0.000 -1.777 10.554) 10.703 12.075 ( 0.000 1.777 10.554) 10.703 12.954 ( 0.000 -0.024 -13.253) 13.253 12.954 ( 0.000 0.024 -13.253) 13.253 12.954 ( 0.000 -0.024 13.253) 13.253 12.954 ( 0.000 0.024 13.253) 13.253 13.659 ( 0.000 -9.128 -11.507) 14.688 13.659 ( 0.000 9.128 -11.507) 14.688 13.659 ( 0.000 -9.128 11.507) 14.688 13.659 ( 0.000 9.128 11.507) 14.688 14.638 ( 0.000 -0.707 -5.853) 5.896 14.638 ( 0.000 0.707 -5.853) 5.896 14.638 ( 0.000 -0.707 5.853) 5.896 14.638 ( 0.000 0.707 5.853) 5.896 15.275 ( 0.000 -3.342 -5.895) 6.776 15.275 ( 0.000 3.342 -5.895) 6.776 15.275 ( 0.000 -3.342 5.895) 6.776 15.275 ( 0.000 3.342 5.895) 6.776 16.701 ( 0.000 -3.327 -8.423) 9.056 16.701 ( 0.000 3.327 -8.423) 9.056 16.701 ( 0.000 -3.327 8.423) 9.056 16.701 ( 0.000 3.327 8.423) 9.056 17.426 ( 0.000 -2.562 -7.005) 7.459 17.426 ( 0.000 2.562 -7.005) 7.459 17.426 ( 0.000 -2.562 7.005) 7.459 17.426 ( 0.000 2.562 7.005) 7.459 18.396 ( 0.000 -2.202 -12.195) 12.392 18.396 ( 0.000 2.202 -12.195) 12.392 18.396 ( 0.000 -2.202 12.195) 12.392 18.396 ( 0.000 2.202 12.195) 12.392 23.227 ( 0.000 -4.767 -18.369) 18.977 23.227 ( 0.000 4.767 -18.369) 18.977 23.227 ( 0.000 -4.767 18.369) 18.977 23.227 ( 0.000 4.767 18.369) 18.977 24.975 ( 0.000 -2.411 -7.429) 7.810 24.975 ( 0.000 2.411 -7.428) 7.810 24.975 ( 0.000 -2.411 7.429) 7.810 24.975 ( 0.000 2.411 7.429) 7.810======================= Grid point 323 (104/108) =======================q-point: ( 0.09 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.184 ( 0.864 0.000 -4.594) 4.674 3.184 ( 0.864 -0.000 4.594) 4.674 3.302 ( 1.869 -0.000 -6.735) 6.990 3.302 ( 1.869 0.000 6.735) 6.990 4.160 ( -11.191 0.000 -20.766) 23.589 4.160 ( -11.191 0.000 20.766) 23.589 4.640 ( 5.178 0.000 -22.225) 22.820 4.640 ( 5.178 0.000 22.225) 22.820 4.980 ( -7.390 0.000 -8.454) 11.229 4.980 ( -7.390 0.000 8.454) 11.229 5.211 ( 1.844 0.000 -5.608) 5.903 5.211 ( 1.844 0.000 5.608) 5.903 7.117 ( 0.953 0.000 -3.379) 3.510 7.117 ( 0.953 0.000 3.379) 3.510 7.140 ( 3.984 -0.000 -7.314) 8.329 7.140 ( 3.984 0.000 7.314) 8.329 8.885 ( -0.953 0.000 -32.498) 32.512 8.885 ( -0.953 0.000 32.498) 32.512 8.984 ( 3.162 0.000 -37.909) 38.041 8.984 ( 3.162 0.000 37.909) 38.041 9.014 ( -6.558 -0.000 -8.162) 10.470 9.014 ( -6.558 -0.000 8.162) 10.470 9.269 ( 7.575 0.000 -2.312) 7.920 9.269 ( 7.575 0.000 2.312) 7.920 10.699 ( -6.726 -0.000 -6.861) 9.608 10.699 ( -6.726 0.000 6.861) 9.608 10.871 ( 4.262 -0.000 -6.734) 7.970 10.871 ( 4.262 0.000 6.734) 7.970 11.423 ( -16.820 0.000 -13.232) 21.401 11.423 ( -16.820 0.000 13.232) 21.401 11.845 ( -5.372 0.000 -8.925) 10.417 11.845 ( -5.372 0.000 8.925) 10.417 12.185 ( 13.239 0.000 -14.269) 19.465 12.185 ( 13.239 0.000 14.269) 19.465 12.220 ( 7.968 0.000 -13.360) 15.556 12.220 ( 7.968 0.000 13.360) 15.556 12.648 ( -14.099 -0.000 -9.344) 16.914 12.648 ( -14.099 0.000 9.344) 16.914 13.161 ( 3.000 0.000 -12.718) 13.067 13.161 ( 3.000 0.000 12.718) 13.067 13.674 ( 5.430 0.000 -13.596) 14.640 13.674 ( 5.430 0.000 13.596) 14.640 13.725 ( 3.225 -0.000 -10.279) 10.773 13.725 ( 3.225 -0.000 10.279) 10.773 14.615 ( -1.126 0.000 -7.542) 7.625 14.615 ( -1.126 0.000 7.542) 7.625 14.674 ( 2.264 0.000 -3.103) 3.841 14.674 ( 2.264 -0.000 3.104) 3.841 15.214 ( -2.995 -0.000 -7.166) 7.767 15.214 ( -2.995 0.000 7.166) 7.767 15.315 ( 1.246 0.000 -3.221) 3.453 15.315 ( 1.246 -0.000 3.221) 3.453 16.544 ( -13.128 0.000 -11.958) 17.758 16.544 ( -13.128 0.000 11.958) 17.758 16.592 ( -14.671 0.000 -9.504) 17.480 16.592 ( -14.671 -0.000 9.504) 17.480 17.151 ( -10.425 0.000 -2.781) 10.789 17.151 ( -10.425 0.000 2.781) 10.789 17.409 ( -11.612 -0.000 -12.242) 16.873 17.409 ( -11.612 0.000 12.242) 16.873 18.416 ( 11.143 0.000 -6.211) 12.757 18.416 ( 11.143 0.000 6.211) 12.757 18.662 ( 13.127 0.000 -8.443) 15.608 18.662 ( 13.127 0.000 8.443) 15.608 22.801 ( -21.784 0.000 -14.868) 26.374 22.801 ( -21.784 -0.000 14.868) 26.374 23.488 ( 5.487 0.000 -19.542) 20.298 23.488 ( 5.487 0.000 19.542) 20.298 24.810 ( -4.856 0.000 -6.631) 8.219 24.810 ( -4.856 0.000 6.631) 8.219 25.174 ( 8.586 0.000 -6.263) 10.627 25.174 ( 8.586 0.000 6.263) 10.627======================= Grid point 327 (105/108) =======================q-point: ( 0.18 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.210 ( -11.268 0.000 -12.878) 17.112 3.210 ( -11.268 0.000 12.879) 17.112 3.249 ( 4.725 -0.000 -3.792) 6.058 3.249 ( 4.725 0.000 3.792) 6.058 4.063 ( 2.265 0.000 -7.624) 7.954 4.063 ( 2.265 0.000 7.624) 7.954 4.511 ( -14.875 0.000 -21.145) 25.853 4.511 ( -14.875 -0.000 21.145) 25.853 4.976 ( 4.971 0.000 -13.431) 14.322 4.976 ( 4.971 0.000 13.431) 14.322 5.221 ( -0.735 0.000 -6.653) 6.694 5.221 ( -0.735 0.000 6.653) 6.694 7.135 ( 0.934 0.000 -4.932) 5.020 7.135 ( 0.934 0.000 4.932) 5.020 7.265 ( 7.876 0.000 -9.219) 12.125 7.265 ( 7.876 0.000 9.219) 12.125 8.829 ( -5.261 0.000 -18.603) 19.333 8.829 ( -5.261 -0.000 18.603) 19.333 8.941 ( 0.867 0.000 -9.420) 9.460 8.941 ( 0.867 0.000 9.420) 9.460 9.052 ( 3.759 -0.000 -37.338) 37.527 9.052 ( 3.759 0.000 37.338) 37.527 9.451 ( 10.027 0.000 -2.180) 10.261 9.451 ( 10.027 0.000 2.180) 10.261 10.515 ( -11.024 0.000 -7.890) 13.557 10.515 ( -11.024 0.000 7.890) 13.557 10.916 ( -4.553 0.000 -10.029) 11.014 10.916 ( -4.553 0.000 10.029) 11.014 11.167 ( -3.757 0.000 -11.129) 11.746 11.167 ( -3.757 0.000 11.129) 11.746 11.703 ( -8.307 0.000 -7.615) 11.270 11.703 ( -8.307 0.000 7.615) 11.270 12.322 ( -6.879 -0.000 -6.461) 9.437 12.322 ( -6.879 0.000 6.461) 9.437 12.384 ( 8.057 0.000 -15.753) 17.694 12.384 ( 8.057 -0.000 15.753) 17.694 12.514 ( 7.345 0.000 -8.349) 11.120 12.514 ( 7.345 -0.000 8.349) 11.120 13.079 ( -8.884 0.000 -10.775) 13.966 13.079 ( -8.884 0.000 10.775) 13.966 13.763 ( -0.173 0.000 -8.486) 8.488 13.763 ( -0.173 0.000 8.486) 8.488 13.823 ( 5.711 0.000 -15.701) 16.707 13.823 ( 5.711 -0.000 15.701) 16.707 14.594 ( -0.672 -0.000 -8.149) 8.177 14.594 ( -0.672 0.000 8.149) 8.177 14.706 ( -0.254 0.000 -4.469) 4.476 14.706 ( -0.254 0.000 4.469) 4.476 15.148 ( -4.037 -0.000 -8.567) 9.470 15.148 ( -4.037 0.000 8.567) 9.470 15.358 ( 4.533 0.000 -2.493) 5.173 15.358 ( 4.533 0.000 2.493) 5.173 16.181 ( -21.412 -0.000 -13.087) 25.095 16.181 ( -21.412 0.000 13.087) 25.095 16.186 ( -20.670 0.000 -7.636) 22.036 16.186 ( -20.670 -0.000 7.636) 22.036 17.036 ( -2.966 0.000 -0.702) 3.048 17.036 ( -2.966 0.000 0.702) 3.048 17.132 ( -13.306 -0.000 -10.265) 16.806 17.132 ( -13.306 0.000 10.265) 16.806 18.700 ( 14.206 0.000 -1.466) 14.281 18.700 ( 14.206 0.000 1.466) 14.281 18.873 ( 7.214 0.000 -3.492) 8.015 18.873 ( 7.214 0.000 3.492) 8.015 22.392 ( -17.560 0.000 -12.981) 21.838 22.392 ( -17.560 -0.000 12.981) 21.838 23.436 ( -9.544 0.000 -20.895) 22.972 23.436 ( -9.544 0.000 20.895) 22.972 24.790 ( 2.020 0.000 -3.726) 4.238 24.790 ( 2.020 0.000 3.726) 4.238 25.301 ( 3.621 0.000 -5.000) 6.174 25.301 ( 3.621 0.000 5.000) 6.174======================= Grid point 331 (106/108) =======================q-point: ( 0.27 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.922 ( -14.834 0.000 -16.674) 22.318 2.922 ( -14.834 0.000 16.675) 22.318 3.305 ( -1.858 0.000 -10.168) 10.336 3.305 ( -1.858 -0.000 10.168) 10.336 4.185 ( 7.773 -0.000 -3.491) 8.521 4.185 ( 7.773 0.000 3.491) 8.521 4.222 ( -10.105 -0.000 -10.576) 14.628 4.222 ( -10.105 -0.000 10.576) 14.628 5.069 ( 3.408 0.000 -8.165) 8.848 5.069 ( 3.408 -0.000 8.165) 8.848 5.187 ( -2.364 0.000 -6.682) 7.087 5.187 ( -2.364 -0.000 6.682) 7.087 7.169 ( 2.802 0.000 -6.676) 7.240 7.169 ( 2.802 0.000 6.676) 7.240 7.427 ( 6.986 0.000 -9.520) 11.808 7.427 ( 6.986 0.000 9.520) 11.808 8.771 ( 1.402 0.000 -6.746) 6.890 8.771 ( 1.402 -0.000 6.746) 6.890 8.997 ( 4.053 0.000 -19.527) 19.943 8.997 ( 4.053 0.000 19.527) 19.943 9.138 ( 4.432 0.000 -32.867) 33.165 9.138 ( 4.432 0.000 32.867) 33.165 9.657 ( 9.608 0.000 -6.399) 11.544 9.657 ( 9.608 0.000 6.399) 11.544 10.282 ( -10.896 0.000 -7.254) 13.090 10.282 ( -10.896 0.000 7.254) 13.090 10.690 ( -13.251 0.000 -12.130) 17.964 10.690 ( -13.251 0.000 12.130) 17.964 11.251 ( 6.973 -0.000 -9.909) 12.116 11.251 ( 6.973 -0.000 9.909) 12.116 11.511 ( -10.164 0.000 -6.881) 12.274 11.511 ( -10.164 0.000 6.881) 12.274 12.140 ( -8.622 0.000 -3.257) 9.216 12.140 ( -8.622 0.000 3.257) 9.216 12.531 ( 5.300 0.000 -15.496) 16.377 12.531 ( 5.300 0.000 15.496) 16.377 12.696 ( 7.762 0.000 -7.246) 10.619 12.696 ( 7.762 0.000 7.246) 10.619 12.872 ( -9.824 0.000 -9.507) 13.671 12.872 ( -9.824 0.000 9.507) 13.671 13.710 ( -4.601 0.000 -8.550) 9.709 13.710 ( -4.601 0.000 8.550) 9.709 13.802 ( -8.644 -0.000 -15.253) 17.532 13.802 ( -8.644 -0.000 15.253) 17.532 14.586 ( -0.977 -0.000 -12.364) 12.403 14.586 ( -0.977 -0.000 12.364) 12.403 14.640 ( -5.649 0.000 -5.059) 7.584 14.640 ( -5.649 0.000 5.059) 7.584 15.040 ( -5.453 0.000 -11.197) 12.454 15.040 ( -5.453 0.000 11.197) 12.454 15.509 ( 5.152 -0.000 -2.979) 5.951 15.509 ( 5.152 0.000 2.979) 5.951 15.769 ( -13.100 -0.000 -16.240) 20.864 15.769 ( -13.100 0.000 16.240) 20.864 15.895 ( -6.628 0.000 -7.897) 10.310 15.895 ( -6.628 0.000 7.897) 10.310 16.887 ( -11.008 0.000 -8.020) 13.619 16.887 ( -11.008 0.000 8.020) 13.619 16.979 ( -3.194 -0.000 -2.210) 3.884 16.979 ( -3.194 -0.000 2.210) 3.884 18.939 ( 8.574 0.000 -2.188) 8.849 18.939 ( 8.574 -0.000 2.188) 8.849 18.958 ( 1.624 0.000 -1.908) 2.506 18.958 ( 1.624 -0.000 1.908) 2.506 22.121 ( -8.379 0.000 -15.606) 17.713 22.121 ( -8.379 0.000 15.606) 17.713 23.163 ( -16.008 0.000 -25.324) 29.959 23.163 ( -16.008 0.000 25.324) 29.959 24.853 ( 3.582 0.000 -2.592) 4.421 24.853 ( 3.582 0.000 2.592) 4.421 25.320 ( -1.508 0.000 -3.981) 4.257 25.320 ( -1.508 0.000 3.981) 4.257======================= Grid point 335 (107/108) =======================q-point: ( 0.36 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.675 ( -8.266 0.000 -10.708) 13.527 2.675 ( -8.266 0.000 10.709) 13.528 3.117 ( -15.044 0.000 -15.026) 21.262 3.117 ( -15.044 -0.000 15.026) 21.263 4.174 ( 4.100 0.000 -4.091) 5.792 4.174 ( 4.100 0.000 4.091) 5.792 4.325 ( 5.134 0.000 -0.810) 5.198 4.325 ( 5.134 -0.000 0.810) 5.198 5.106 ( 0.338 0.000 -4.357) 4.370 5.106 ( 0.338 -0.000 4.357) 4.370 5.135 ( -2.519 0.000 -5.514) 6.062 5.135 ( -2.519 -0.000 5.514) 6.062 7.255 ( 5.588 0.000 -8.134) 9.869 7.255 ( 5.588 -0.000 8.134) 9.869 7.513 ( 1.119 0.000 -8.875) 8.946 7.513 ( 1.119 0.000 8.875) 8.946 8.912 ( 11.577 0.000 -1.945) 11.739 8.912 ( 11.577 0.000 1.946) 11.739 9.107 ( 7.218 0.000 -18.616) 19.966 9.107 ( 7.218 0.000 18.616) 19.966 9.218 ( 3.010 0.000 -27.694) 27.857 9.218 ( 3.010 0.000 27.694) 27.857 9.765 ( -2.122 0.000 -10.253) 10.471 9.765 ( -2.122 0.000 10.253) 10.471 10.145 ( -0.140 0.000 -6.546) 6.548 10.145 ( -0.140 0.000 6.546) 6.548 10.441 ( -10.636 -0.000 -11.858) 15.929 10.441 ( -10.636 0.000 11.858) 15.929 11.321 ( -7.718 0.000 -5.469) 9.459 11.321 ( -7.718 -0.000 5.469) 9.459 11.356 ( 2.133 0.000 -6.473) 6.815 11.356 ( 2.133 -0.000 6.473) 6.815 12.010 ( -2.922 0.000 -4.556) 5.413 12.010 ( -2.922 0.000 4.556) 5.413 12.529 ( -5.287 -0.000 -7.802) 9.425 12.529 ( -5.287 0.000 7.802) 9.425 12.751 ( -3.283 0.000 -10.208) 10.724 12.751 ( -3.283 -0.000 10.209) 10.724 12.790 ( 0.978 -0.000 -6.949) 7.018 12.790 ( 0.978 0.000 6.949) 7.018 13.541 ( -12.738 0.000 -10.032) 16.214 13.541 ( -12.738 0.000 10.032) 16.214 13.609 ( -4.655 0.000 -13.424) 14.209 13.609 ( -4.655 -0.000 13.424) 14.209 14.516 ( -5.848 0.000 -9.141) 10.851 14.516 ( -5.848 -0.000 9.141) 10.851 14.525 ( -4.387 0.000 -12.956) 13.679 14.525 ( -4.387 0.000 12.956) 13.679 14.988 ( 0.101 0.000 -11.297) 11.298 14.988 ( 0.101 0.000 11.297) 11.298 15.295 ( -14.334 0.000 -16.874) 22.140 15.295 ( -14.334 0.000 16.874) 22.140 15.884 ( 4.070 -0.000 -17.141) 17.618 15.884 ( 4.070 0.000 17.141) 17.618 15.909 ( 13.968 0.000 -2.181) 14.138 15.909 ( 13.968 -0.000 2.181) 14.138 16.683 ( -8.561 0.000 -8.662) 12.178 16.683 ( -8.560 0.000 8.662) 12.178 16.891 ( -5.725 -0.000 -3.165) 6.542 16.891 ( -5.725 0.000 3.165) 6.542 18.964 ( -0.318 0.000 -4.527) 4.539 18.964 ( -0.318 0.000 4.527) 4.539 19.036 ( 1.205 0.000 -6.984) 7.087 19.036 ( 1.205 0.000 6.984) 7.087 22.065 ( 2.724 0.000 -21.483) 21.655 22.065 ( 2.724 0.000 21.483) 21.655 22.821 ( -17.059 0.000 -28.553) 33.261 22.821 ( -17.059 0.000 28.553) 33.261 24.930 ( 4.126 0.000 -2.544) 4.847 24.930 ( 4.126 0.000 2.544) 4.847 25.252 ( -4.854 0.000 -3.464) 5.964 25.252 ( -4.854 0.000 3.464) 5.964======================= Grid point 339 (108/108) =======================q-point: ( 0.45 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 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 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 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 99Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.621 ( 3.341 0.000 -0.288) 3.353 2.621 ( 3.341 0.000 0.288) 3.353 2.802 ( -13.713 -0.000 -9.709) 16.802 2.802 ( -13.713 -0.000 9.709) 16.803 4.295 ( 6.000 0.000 -7.287) 9.440 4.295 ( 6.000 0.000 7.287) 9.440 4.371 ( -0.852 0.000 -5.042) 5.113 4.371 ( -0.852 0.000 5.042) 5.113 5.097 ( -0.950 0.002 -6.796) 6.862 5.097 ( -0.950 -0.004 6.796) 6.862 5.097 ( -0.686 -0.002 -6.410) 6.447 5.097 ( -0.686 0.004 6.410) 6.447 7.380 ( 6.100 0.000 -9.472) 11.267 7.380 ( 6.100 -0.000 9.472) 11.267 7.483 ( -3.649 0.000 -9.553) 10.227 7.483 ( -3.649 -0.000 9.553) 10.227 9.139 ( 8.387 0.000 -13.601) 15.979 9.139 ( 8.387 0.000 13.601) 15.979 9.239 ( -1.544 0.000 -22.565) 22.618 9.239 ( -1.544 0.000 22.565) 22.618 9.320 ( 13.601 0.000 -6.993) 15.294 9.320 ( 13.601 0.000 6.993) 15.294 9.592 ( -12.168 0.000 -11.140) 16.497 9.592 ( -12.168 0.000 11.140) 16.497 10.213 ( 3.453 0.000 -5.572) 6.555 10.213 ( 3.453 -0.000 5.572) 6.555 10.281 ( -4.880 -0.000 -8.700) 9.976 10.281 ( -4.880 0.000 8.700) 9.976 11.239 ( 0.660 0.000 -2.287) 2.380 11.239 ( 0.660 0.000 2.287) 2.380 11.319 ( -4.907 -0.000 -1.960) 5.284 11.319 ( -4.907 -0.000 1.960) 5.284 12.073 ( 9.579 0.000 -7.223) 11.997 12.073 ( 9.579 0.000 7.223) 11.997 12.345 ( -13.844 0.000 -6.211) 15.173 12.345 ( -13.844 0.000 6.211) 15.173 12.682 ( -0.342 0.000 -8.822) 8.829 12.682 ( -0.342 -0.000 8.822) 8.829 12.745 ( -4.392 -0.000 -10.068) 10.984 12.745 ( -4.392 -0.000 10.068) 10.984 13.434 ( 1.848 0.000 -10.630) 10.789 13.434 ( 1.848 -0.000 10.630) 10.789 13.519 ( -4.699 0.000 -16.376) 17.036 13.519 ( -4.699 0.000 16.376) 17.036 14.431 ( -1.876 0.000 -12.879) 13.014 14.431 ( -1.876 -0.000 12.879) 13.015 14.445 ( -2.888 0.000 -13.748) 14.048 14.445 ( -2.888 -0.000 13.748) 14.048 15.009 ( 1.830 0.000 -11.068) 11.218 15.009 ( 1.830 0.000 11.068) 11.218 15.084 ( -6.369 0.000 -14.253) 15.611 15.084 ( -6.368 0.000 14.253) 15.611 16.010 ( 7.161 0.000 -18.030) 19.400 16.010 ( 7.161 -0.000 18.030) 19.400 16.097 ( 1.675 0.000 -9.580) 9.726 16.097 ( 1.675 0.000 9.581) 9.726 16.601 ( 2.539 0.000 -2.861) 3.825 16.601 ( 2.539 0.000 2.861) 3.825 16.743 ( -8.557 -0.000 -3.065) 9.090 16.743 ( -8.557 0.000 3.065) 9.090 18.971 ( 1.330 0.000 -7.655) 7.770 18.971 ( 1.330 0.000 7.655) 7.770 19.014 ( -2.420 0.000 -9.174) 9.488 19.014 ( -2.420 0.000 9.174) 9.488 22.212 ( 11.068 0.000 -26.523) 28.740 22.212 ( 11.068 0.000 26.523) 28.740 22.487 ( -15.422 0.000 -28.930) 32.784 22.487 ( -15.422 -0.000 28.930) 32.784 25.024 ( 5.225 0.000 -3.133) 6.093 25.024 ( 5.225 0.000 3.133) 6.093 25.139 ( -5.881 0.000 -3.395) 6.791 25.139 ( -5.881 0.000 3.395) 6.791=================== 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 3/31680 10.0 23879.852 17620.956 24538.449 0.000 0.000 0.000 3/31680 20.0 3573.145 2030.067 3242.485 0.000 0.000 0.000 3/31680 30.0 1215.273 623.872 1015.099 0.000 0.000 0.000 3/31680 40.0 633.722 302.971 509.819 0.000 0.000 0.000 3/31680 50.0 396.040 183.297 312.730 0.000 0.000 0.000 3/31680 60.0 271.296 123.619 212.898 0.000 0.000 0.000 3/31680 70.0 196.390 88.583 154.319 0.000 0.000 0.000 3/31680 80.0 147.742 66.040 116.747 0.000 0.000 0.000 3/31680 90.0 114.567 50.757 91.251 0.000 0.000 0.000 3/31680 100.0 91.169 40.048 73.271 0.000 0.000 0.000 3/31680 110.0 74.227 32.353 60.216 0.000 0.000 0.000 3/31680 120.0 61.678 26.703 50.504 0.000 0.000 0.000 3/31680 130.0 52.191 22.466 43.120 0.000 0.000 0.000 3/31680 140.0 44.880 19.228 37.397 0.000 0.000 0.000 3/31680 150.0 39.145 16.705 32.879 0.000 0.000 0.000 3/31680 160.0 34.571 14.706 29.253 0.000 0.000 0.000 3/31680 170.0 30.867 13.096 26.298 0.000 0.000 0.000 3/31680 180.0 27.827 11.780 23.857 0.000 0.000 0.000 3/31680 190.0 25.298 10.689 21.815 0.000 0.000 0.000 3/31680 200.0 23.171 9.775 20.086 0.000 0.000 0.000 3/31680 210.0 21.362 8.999 18.608 0.000 0.000 0.000 3/31680 220.0 19.808 8.335 17.331 0.000 0.000 0.000 3/31680 230.0 18.462 7.760 16.219 0.000 0.000 0.000 3/31680 240.0 17.287 7.259 15.243 0.000 0.000 0.000 3/31680 250.0 16.252 6.818 14.380 0.000 0.000 0.000 3/31680 260.0 15.336 6.429 13.612 0.000 0.000 0.000 3/31680 270.0 14.519 6.081 12.924 0.000 0.000 0.000 3/31680 280.0 13.786 5.771 12.305 0.000 0.000 0.000 3/31680 290.0 13.126 5.491 11.744 0.000 0.000 0.000 3/31680 300.0 12.527 5.237 11.234 0.000 0.000 0.000 3/31680 310.0 11.983 5.007 10.769 0.000 0.000 0.000 3/31680 320.0 11.486 4.796 10.342 0.000 0.000 0.000 3/31680 330.0 11.030 4.603 9.949 0.000 0.000 0.000 3/31680 340.0 10.610 4.426 9.586 0.000 0.000 0.000 3/31680 350.0 10.222 4.262 9.250 0.000 0.000 0.000 3/31680 360.0 9.863 4.111 8.938 0.000 0.000 0.000 3/31680 370.0 9.529 3.970 8.648 0.000 0.000 0.000 3/31680 380.0 9.218 3.839 8.376 0.000 0.000 0.000 3/31680 390.0 8.927 3.717 8.122 0.000 0.000 0.000 3/31680 400.0 8.656 3.602 7.883 0.000 0.000 0.000 3/31680 410.0 8.401 3.495 7.659 0.000 0.000 0.000 3/31680 420.0 8.161 3.394 7.448 0.000 0.000 0.000 3/31680 430.0 7.935 3.299 7.249 0.000 0.000 0.000 3/31680 440.0 7.722 3.209 7.060 0.000 0.000 0.000 3/31680 450.0 7.520 3.125 6.881 0.000 0.000 0.000 3/31680 460.0 7.330 3.045 6.712 0.000 0.000 0.000 3/31680 470.0 7.149 2.969 6.551 0.000 0.000 0.000 3/31680 480.0 6.977 2.897 6.398 0.000 0.000 0.000 3/31680 490.0 6.813 2.828 6.252 0.000 0.000 0.000 3/31680 500.0 6.658 2.763 6.113 0.000 0.000 0.000 3/31680 510.0 6.509 2.701 5.981 0.000 0.000 0.000 3/31680 520.0 6.368 2.642 5.854 0.000 0.000 0.000 3/31680 530.0 6.232 2.585 5.732 0.000 0.000 0.000 3/31680 540.0 6.103 2.531 5.616 0.000 0.000 0.000 3/31680 550.0 5.979 2.479 5.504 0.000 0.000 0.000 3/31680 560.0 5.860 2.429 5.397 0.000 0.000 0.000 3/31680 570.0 5.746 2.381 5.295 0.000 0.000 0.000 3/31680 580.0 5.636 2.336 5.196 0.000 0.000 0.000 3/31680 590.0 5.531 2.292 5.101 0.000 0.000 0.000 3/31680 600.0 5.430 2.249 5.009 0.000 0.000 0.000 3/31680 610.0 5.332 2.209 4.921 0.000 0.000 0.000 3/31680 620.0 5.238 2.169 4.836 0.000 0.000 0.000 3/31680 630.0 5.147 2.132 4.754 0.000 0.000 0.000 3/31680 640.0 5.060 2.095 4.674 0.000 0.000 0.000 3/31680 650.0 4.975 2.060 4.598 0.000 0.000 0.000 3/31680 660.0 4.894 2.026 4.524 0.000 0.000 0.000 3/31680 670.0 4.815 1.993 4.452 0.000 0.000 0.000 3/31680 680.0 4.739 1.961 4.383 0.000 0.000 0.000 3/31680 690.0 4.665 1.931 4.315 0.000 0.000 0.000 3/31680 700.0 4.593 1.901 4.250 0.000 0.000 0.000 3/31680 710.0 4.524 1.872 4.187 0.000 0.000 0.000 3/31680 720.0 4.457 1.844 4.126 0.000 0.000 0.000 3/31680 730.0 4.392 1.817 4.066 0.000 0.000 0.000 3/31680 740.0 4.328 1.791 4.009 0.000 0.000 0.000 3/31680 750.0 4.267 1.765 3.953 0.000 0.000 0.000 3/31680 760.0 4.207 1.740 3.898 0.000 0.000 0.000 3/31680 770.0 4.150 1.716 3.845 0.000 0.000 0.000 3/31680 780.0 4.093 1.693 3.794 0.000 0.000 0.000 3/31680 790.0 4.038 1.670 3.744 0.000 0.000 0.000 3/31680 800.0 3.985 1.648 3.695 0.000 0.000 0.000 3/31680 810.0 3.933 1.626 3.647 0.000 0.000 0.000 3/31680 820.0 3.883 1.605 3.601 0.000 0.000 0.000 3/31680 830.0 3.833 1.585 3.556 0.000 0.000 0.000 3/31680 840.0 3.785 1.565 3.512 0.000 0.000 0.000 3/31680 850.0 3.739 1.545 3.469 0.000 0.000 0.000 3/31680 860.0 3.693 1.526 3.427 0.000 0.000 0.000 3/31680 870.0 3.649 1.508 3.386 0.000 0.000 0.000 3/31680 880.0 3.605 1.490 3.346 0.000 0.000 0.000 3/31680 890.0 3.563 1.472 3.308 0.000 0.000 0.000 3/31680 900.0 3.522 1.455 3.270 0.000 0.000 0.000 3/31680 910.0 3.481 1.439 3.232 0.000 0.000 0.000 3/31680 920.0 3.442 1.422 3.196 0.000 0.000 0.000 3/31680 930.0 3.403 1.406 3.161 0.000 0.000 0.000 3/31680 940.0 3.366 1.391 3.126 0.000 0.000 0.000 3/31680 950.0 3.329 1.375 3.092 0.000 0.000 0.000 3/31680 960.0 3.293 1.360 3.059 0.000 0.000 0.000 3/31680 970.0 3.258 1.346 3.027 0.000 0.000 0.000 3/31680 980.0 3.223 1.331 2.995 0.000 0.000 0.000 3/31680 990.0 3.189 1.317 2.964 0.000 0.000 0.000 3/31680 1000.0 3.156 1.304 2.933 0.000 0.000 0.000 3/31680Thermal conductivity related properties were written into "kappa-m11410.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:09:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|