----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:09:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.485909400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.005928679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): *1 Tb 0.98063400454027 0.25000000000000 0.75708848714474 158.925 2 Tb 0.51936599545973 0.75000000000000 0.25708848714474 158.925 3 Tb 0.48063400454027 0.25000000000000 0.74291151285526 158.925 4 Tb 0.01936599545973 0.75000000000000 0.24291151285526 158.925 *5 Cu 0.23645760896043 0.75000000000000 0.72069945744100 63.546 6 Cu 0.26354239103957 0.25000000000000 0.22069945744100 63.546 7 Cu 0.73645760896043 0.75000000000000 0.77930054255900 63.546 8 Cu 0.76354239103957 0.25000000000000 0.27930054255900 63.546 *9 Pb 0.22306477428195 0.25000000000000 0.50582272854600 207.200 10 Pb 0.77693522571805 0.75000000000000 0.49417727145400 207.200 11 Pb 0.27693522571805 0.75000000000000 0.00582272854600 207.200 12 Pb 0.72306477428195 0.25000000000000 0.99417727145400 207.200 *13 Se 0.95240233466539 0.25000000000000 0.38718436294766 78.960 *14 Se 0.91269286920778 0.75000000000000 0.89648699415508 78.960 15 Se 0.58730713079222 0.25000000000000 0.39648699415508 78.960 16 Se 0.04759766533461 0.75000000000000 0.61281563705234 78.960 17 Se 0.45240233466539 0.25000000000000 0.11281563705234 78.960 18 Se 0.08730713079222 0.25000000000000 0.10351300584492 78.960 *19 Se 0.26536611631012 0.75000000000000 0.33004264766108 78.960 20 Se 0.54759766533461 0.75000000000000 0.88718436294766 78.960 21 Se 0.41269286920778 0.75000000000000 0.60351300584492 78.960 22 Se 0.76536611631012 0.75000000000000 0.16995735233892 78.960 23 Se 0.73463388368988 0.25000000000000 0.66995735233892 78.960 24 Se 0.23463388368988 0.25000000000000 0.83004264766108 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.485909400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.005928679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): *1 Tb 0.98063400454027 0.25000000000000 0.75708848714474 158.925 > 1 2 Tb 0.51936599545973 0.75000000000000 0.25708848714474 158.925 > 2 3 Tb 0.48063400454027 0.25000000000000 0.74291151285526 158.925 > 3 4 Tb 0.01936599545973 0.75000000000000 0.24291151285526 158.925 > 4 *5 Cu 0.23645760896043 0.75000000000000 0.72069945744100 63.546 > 5 6 Cu 0.26354239103957 0.25000000000000 0.22069945744100 63.546 > 6 7 Cu 0.73645760896043 0.75000000000000 0.77930054255900 63.546 > 7 8 Cu 0.76354239103957 0.25000000000000 0.27930054255900 63.546 > 8 *9 Pb 0.22306477428195 0.25000000000000 0.50582272854600 207.200 > 9 10 Pb 0.77693522571805 0.75000000000000 0.49417727145400 207.200 > 10 11 Pb 0.27693522571805 0.75000000000000 0.00582272854600 207.200 > 11 12 Pb 0.72306477428195 0.25000000000000 0.99417727145400 207.200 > 12 *13 Se 0.95240233466539 0.25000000000000 0.38718436294766 78.960 > 13 *14 Se 0.91269286920778 0.75000000000000 0.89648699415508 78.960 > 14 15 Se 0.58730713079222 0.25000000000000 0.39648699415508 78.960 > 15 16 Se 0.04759766533461 0.75000000000000 0.61281563705234 78.960 > 16 17 Se 0.45240233466539 0.25000000000000 0.11281563705234 78.960 > 17 18 Se 0.08730713079222 0.25000000000000 0.10351300584492 78.960 > 18 *19 Se 0.26536611631012 0.75000000000000 0.33004264766108 78.960 > 19 20 Se 0.54759766533461 0.75000000000000 0.88718436294766 78.960 > 20 21 Se 0.41269286920778 0.75000000000000 0.60351300584492 78.960 > 21 22 Se 0.76536611631012 0.75000000000000 0.16995735233892 78.960 > 22 23 Se 0.73463388368988 0.25000000000000 0.66995735233892 78.960 > 23 24 Se 0.23463388368988 0.25000000000000 0.83004264766108 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.971818800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017786039999994 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): *1 Tb 0.49031700227014 0.08333333333333 0.75708848714474 158.925 > 1 2 Tb 0.99031700227014 0.08333333333333 0.75708848714474 158.925 > 1 3 Tb 0.49031700227014 0.41666666666667 0.75708848714474 158.925 > 1 4 Tb 0.99031700227014 0.41666666666667 0.75708848714474 158.925 > 1 5 Tb 0.49031700227014 0.75000000000000 0.75708848714474 158.925 > 1 6 Tb 0.99031700227014 0.75000000000000 0.75708848714474 158.925 > 1 7 Tb 0.25968299772986 0.25000000000000 0.25708848714474 158.925 > 2 8 Tb 0.75968299772986 0.25000000000000 0.25708848714474 158.925 > 2 9 Tb 0.25968299772986 0.58333333333333 0.25708848714474 158.925 > 2 10 Tb 0.75968299772986 0.58333333333333 0.25708848714474 158.925 > 2 11 Tb 0.25968299772986 0.91666666666667 0.25708848714474 158.925 > 2 12 Tb 0.75968299772986 0.91666666666667 0.25708848714474 158.925 > 2 13 Tb 0.24031700227014 0.08333333333333 0.74291151285526 158.925 > 3 14 Tb 0.74031700227014 0.08333333333333 0.74291151285526 158.925 > 3 15 Tb 0.24031700227014 0.41666666666667 0.74291151285526 158.925 > 3 16 Tb 0.74031700227014 0.41666666666667 0.74291151285526 158.925 > 3 17 Tb 0.24031700227014 0.75000000000000 0.74291151285526 158.925 > 3 18 Tb 0.74031700227014 0.75000000000000 0.74291151285526 158.925 > 3 19 Tb 0.00968299772986 0.25000000000000 0.24291151285526 158.925 > 4 20 Tb 0.50968299772986 0.25000000000000 0.24291151285526 158.925 > 4 21 Tb 0.00968299772986 0.58333333333333 0.24291151285526 158.925 > 4 22 Tb 0.50968299772986 0.58333333333333 0.24291151285526 158.925 > 4 23 Tb 0.00968299772986 0.91666666666667 0.24291151285526 158.925 > 4 24 Tb 0.50968299772986 0.91666666666667 0.24291151285526 158.925 > 4 *25 Cu 0.11822880448022 0.25000000000000 0.72069945744100 63.546 > 5 26 Cu 0.61822880448022 0.25000000000000 0.72069945744100 63.546 > 5 27 Cu 0.11822880448022 0.58333333333333 0.72069945744100 63.546 > 5 28 Cu 0.61822880448022 0.58333333333333 0.72069945744100 63.546 > 5 29 Cu 0.11822880448022 0.91666666666667 0.72069945744100 63.546 > 5 30 Cu 0.61822880448022 0.91666666666667 0.72069945744100 63.546 > 5 31 Cu 0.13177119551978 0.08333333333333 0.22069945744100 63.546 > 6 32 Cu 0.63177119551978 0.08333333333333 0.22069945744100 63.546 > 6 33 Cu 0.13177119551978 0.41666666666667 0.22069945744100 63.546 > 6 34 Cu 0.63177119551978 0.41666666666667 0.22069945744100 63.546 > 6 35 Cu 0.13177119551978 0.75000000000000 0.22069945744100 63.546 > 6 36 Cu 0.63177119551978 0.75000000000000 0.22069945744100 63.546 > 6 37 Cu 0.36822880448022 0.25000000000000 0.77930054255900 63.546 > 7 38 Cu 0.86822880448022 0.25000000000000 0.77930054255900 63.546 > 7 39 Cu 0.36822880448022 0.58333333333333 0.77930054255900 63.546 > 7 40 Cu 0.86822880448022 0.58333333333333 0.77930054255900 63.546 > 7 41 Cu 0.36822880448022 0.91666666666667 0.77930054255900 63.546 > 7 42 Cu 0.86822880448022 0.91666666666667 0.77930054255900 63.546 > 7 43 Cu 0.38177119551978 0.08333333333333 0.27930054255900 63.546 > 8 44 Cu 0.88177119551978 0.08333333333333 0.27930054255900 63.546 > 8 45 Cu 0.38177119551978 0.41666666666667 0.27930054255900 63.546 > 8 46 Cu 0.88177119551978 0.41666666666667 0.27930054255900 63.546 > 8 47 Cu 0.38177119551978 0.75000000000000 0.27930054255900 63.546 > 8 48 Cu 0.88177119551978 0.75000000000000 0.27930054255900 63.546 > 8 *49 Pb 0.11153238714097 0.08333333333333 0.50582272854600 207.200 > 9 50 Pb 0.61153238714097 0.08333333333333 0.50582272854600 207.200 > 9 51 Pb 0.11153238714097 0.41666666666667 0.50582272854600 207.200 > 9 52 Pb 0.61153238714097 0.41666666666667 0.50582272854600 207.200 > 9 53 Pb 0.11153238714097 0.75000000000000 0.50582272854600 207.200 > 9 54 Pb 0.61153238714097 0.75000000000000 0.50582272854600 207.200 > 9 55 Pb 0.38846761285903 0.25000000000000 0.49417727145400 207.200 > 10 56 Pb 0.88846761285903 0.25000000000000 0.49417727145400 207.200 > 10 57 Pb 0.38846761285903 0.58333333333333 0.49417727145400 207.200 > 10 58 Pb 0.88846761285903 0.58333333333333 0.49417727145400 207.200 > 10 59 Pb 0.38846761285903 0.91666666666667 0.49417727145400 207.200 > 10 60 Pb 0.88846761285903 0.91666666666667 0.49417727145400 207.200 > 10 61 Pb 0.13846761285903 0.25000000000000 0.00582272854600 207.200 > 11 62 Pb 0.63846761285903 0.25000000000000 0.00582272854600 207.200 > 11 63 Pb 0.13846761285903 0.58333333333333 0.00582272854600 207.200 > 11 64 Pb 0.63846761285903 0.58333333333333 0.00582272854600 207.200 > 11 65 Pb 0.13846761285903 0.91666666666667 0.00582272854600 207.200 > 11 66 Pb 0.63846761285903 0.91666666666667 0.00582272854600 207.200 > 11 67 Pb 0.36153238714097 0.08333333333333 0.99417727145400 207.200 > 12 68 Pb 0.86153238714097 0.08333333333333 0.99417727145400 207.200 > 12 69 Pb 0.36153238714097 0.41666666666667 0.99417727145400 207.200 > 12 70 Pb 0.86153238714097 0.41666666666667 0.99417727145400 207.200 > 12 71 Pb 0.36153238714097 0.75000000000000 0.99417727145400 207.200 > 12 72 Pb 0.86153238714097 0.75000000000000 0.99417727145400 207.200 > 12 *73 Se 0.47620116733269 0.08333333333333 0.38718436294766 78.960 > 13 74 Se 0.97620116733269 0.08333333333333 0.38718436294766 78.960 > 13 75 Se 0.47620116733269 0.41666666666667 0.38718436294766 78.960 > 13 76 Se 0.97620116733269 0.41666666666667 0.38718436294766 78.960 > 13 77 Se 0.47620116733269 0.75000000000000 0.38718436294766 78.960 > 13 78 Se 0.97620116733269 0.75000000000000 0.38718436294766 78.960 > 13 *79 Se 0.45634643460389 0.25000000000000 0.89648699415508 78.960 > 14 80 Se 0.95634643460389 0.25000000000000 0.89648699415508 78.960 > 14 81 Se 0.45634643460389 0.58333333333333 0.89648699415508 78.960 > 14 82 Se 0.95634643460389 0.58333333333333 0.89648699415508 78.960 > 14 83 Se 0.45634643460389 0.91666666666667 0.89648699415508 78.960 > 14 84 Se 0.95634643460389 0.91666666666667 0.89648699415508 78.960 > 14 85 Se 0.29365356539611 0.08333333333333 0.39648699415508 78.960 > 15 86 Se 0.79365356539611 0.08333333333333 0.39648699415508 78.960 > 15 87 Se 0.29365356539611 0.41666666666667 0.39648699415508 78.960 > 15 88 Se 0.79365356539611 0.41666666666667 0.39648699415508 78.960 > 15 89 Se 0.29365356539611 0.75000000000000 0.39648699415508 78.960 > 15 90 Se 0.79365356539611 0.75000000000000 0.39648699415508 78.960 > 15 91 Se 0.02379883266731 0.25000000000000 0.61281563705234 78.960 > 16 92 Se 0.52379883266731 0.25000000000000 0.61281563705234 78.960 > 16 93 Se 0.02379883266731 0.58333333333333 0.61281563705234 78.960 > 16 94 Se 0.52379883266731 0.58333333333333 0.61281563705234 78.960 > 16 95 Se 0.02379883266731 0.91666666666667 0.61281563705234 78.960 > 16 96 Se 0.52379883266731 0.91666666666667 0.61281563705234 78.960 > 16 97 Se 0.22620116733269 0.08333333333333 0.11281563705234 78.960 > 17 98 Se 0.72620116733269 0.08333333333333 0.11281563705234 78.960 > 17 99 Se 0.22620116733269 0.41666666666667 0.11281563705234 78.960 > 17 100 Se 0.72620116733269 0.41666666666667 0.11281563705234 78.960 > 17 101 Se 0.22620116733269 0.75000000000000 0.11281563705234 78.960 > 17 102 Se 0.72620116733269 0.75000000000000 0.11281563705234 78.960 > 17 103 Se 0.04365356539611 0.08333333333333 0.10351300584492 78.960 > 18 104 Se 0.54365356539611 0.08333333333333 0.10351300584492 78.960 > 18 105 Se 0.04365356539611 0.41666666666667 0.10351300584492 78.960 > 18 106 Se 0.54365356539611 0.41666666666667 0.10351300584492 78.960 > 18 107 Se 0.04365356539611 0.75000000000000 0.10351300584492 78.960 > 18 108 Se 0.54365356539611 0.75000000000000 0.10351300584492 78.960 > 18 *109 Se 0.13268305815506 0.25000000000000 0.33004264766108 78.960 > 19 110 Se 0.63268305815506 0.25000000000000 0.33004264766108 78.960 > 19 111 Se 0.13268305815506 0.58333333333333 0.33004264766108 78.960 > 19 112 Se 0.63268305815506 0.58333333333333 0.33004264766108 78.960 > 19 113 Se 0.13268305815506 0.91666666666667 0.33004264766108 78.960 > 19 114 Se 0.63268305815506 0.91666666666667 0.33004264766108 78.960 > 19 115 Se 0.27379883266731 0.25000000000000 0.88718436294766 78.960 > 20 116 Se 0.77379883266731 0.25000000000000 0.88718436294766 78.960 > 20 117 Se 0.27379883266731 0.58333333333333 0.88718436294766 78.960 > 20 118 Se 0.77379883266731 0.58333333333333 0.88718436294766 78.960 > 20 119 Se 0.27379883266731 0.91666666666667 0.88718436294766 78.960 > 20 120 Se 0.77379883266731 0.91666666666667 0.88718436294766 78.960 > 20 121 Se 0.20634643460389 0.25000000000000 0.60351300584492 78.960 > 21 122 Se 0.70634643460389 0.25000000000000 0.60351300584492 78.960 > 21 123 Se 0.20634643460389 0.58333333333333 0.60351300584492 78.960 > 21 124 Se 0.70634643460389 0.58333333333333 0.60351300584492 78.960 > 21 125 Se 0.20634643460389 0.91666666666667 0.60351300584492 78.960 > 21 126 Se 0.70634643460389 0.91666666666667 0.60351300584492 78.960 > 21 127 Se 0.38268305815506 0.25000000000000 0.16995735233892 78.960 > 22 128 Se 0.88268305815506 0.25000000000000 0.16995735233892 78.960 > 22 129 Se 0.38268305815506 0.58333333333333 0.16995735233892 78.960 > 22 130 Se 0.88268305815506 0.58333333333333 0.16995735233892 78.960 > 22 131 Se 0.38268305815506 0.91666666666667 0.16995735233892 78.960 > 22 132 Se 0.88268305815506 0.91666666666667 0.16995735233892 78.960 > 22 133 Se 0.36731694184494 0.08333333333333 0.66995735233892 78.960 > 23 134 Se 0.86731694184494 0.08333333333333 0.66995735233892 78.960 > 23 135 Se 0.36731694184494 0.41666666666667 0.66995735233892 78.960 > 23 136 Se 0.86731694184494 0.41666666666667 0.66995735233892 78.960 > 23 137 Se 0.36731694184494 0.75000000000000 0.66995735233892 78.960 > 23 138 Se 0.86731694184494 0.75000000000000 0.66995735233892 78.960 > 23 139 Se 0.11731694184494 0.08333333333333 0.83004264766108 78.960 > 24 140 Se 0.61731694184494 0.08333333333333 0.83004264766108 78.960 > 24 141 Se 0.11731694184494 0.41666666666667 0.83004264766108 78.960 > 24 142 Se 0.61731694184494 0.41666666666667 0.83004264766108 78.960 > 24 143 Se 0.11731694184494 0.75000000000000 0.83004264766108 78.960 > 24 144 Se 0.61731694184494 0.75000000000000 0.83004264766108 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4169074 0.0000000 0.0000000 0.0000000 13.8485192 0.0000000 0.0000000 0.0000000 11.9586432 -------------------------- Born effective charges -------------------------- 1 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 2 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 3 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 4 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 5 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 6 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 7 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 8 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 9 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 10 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 11 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 12 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 13 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 14 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 15 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 16 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 17 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 18 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 19 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 20 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 21 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 22 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 23 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 24 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.804 Solver_block: 200 / 400 - Time: 0.759 Solver_block: 300 / 400 - Time: 0.746 Solver_block: 400 / 400 - Time: 0.771 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.159 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2124 Number of blocks in projector: 2124 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2124, 2094), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:09:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:09:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.485909400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.005928679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): 1 Tb 0.98063400454027 0.25000000000000 0.75708848714474 158.925 2 Tb 0.51936599545973 0.75000000000000 0.25708848714474 158.925 3 Tb 0.48063400454027 0.25000000000000 0.74291151285526 158.925 4 Tb 0.01936599545973 0.75000000000000 0.24291151285526 158.925 5 Cu 0.23645760896043 0.75000000000000 0.72069945744100 63.546 6 Cu 0.26354239103957 0.25000000000000 0.22069945744100 63.546 7 Cu 0.73645760896043 0.75000000000000 0.77930054255900 63.546 8 Cu 0.76354239103957 0.25000000000000 0.27930054255900 63.546 9 Pb 0.22306477428195 0.25000000000000 0.50582272854600 207.200 10 Pb 0.77693522571805 0.75000000000000 0.49417727145400 207.200 11 Pb 0.27693522571805 0.75000000000000 0.00582272854600 207.200 12 Pb 0.72306477428195 0.25000000000000 0.99417727145400 207.200 13 Se 0.95240233466539 0.25000000000000 0.38718436294766 78.960 14 Se 0.91269286920778 0.75000000000000 0.89648699415508 78.960 15 Se 0.58730713079222 0.25000000000000 0.39648699415508 78.960 16 Se 0.04759766533461 0.75000000000000 0.61281563705234 78.960 17 Se 0.45240233466539 0.25000000000000 0.11281563705234 78.960 18 Se 0.08730713079222 0.25000000000000 0.10351300584492 78.960 19 Se 0.26536611631012 0.75000000000000 0.33004264766108 78.960 20 Se 0.54759766533461 0.75000000000000 0.88718436294766 78.960 21 Se 0.41269286920778 0.75000000000000 0.60351300584492 78.960 22 Se 0.76536611631012 0.75000000000000 0.16995735233892 78.960 23 Se 0.73463388368988 0.25000000000000 0.66995735233892 78.960 24 Se 0.23463388368988 0.25000000000000 0.83004264766108 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.971818800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017786039999994 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): 1 Tb 0.49031700227014 0.08333333333333 0.75708848714474 158.925 > 1 2 Tb 0.99031700227014 0.08333333333333 0.75708848714474 158.925 > 1 3 Tb 0.49031700227014 0.41666666666667 0.75708848714474 158.925 > 1 4 Tb 0.99031700227014 0.41666666666667 0.75708848714474 158.925 > 1 5 Tb 0.49031700227014 0.75000000000000 0.75708848714474 158.925 > 1 6 Tb 0.99031700227014 0.75000000000000 0.75708848714474 158.925 > 1 7 Tb 0.25968299772986 0.25000000000000 0.25708848714474 158.925 > 7 8 Tb 0.75968299772986 0.25000000000000 0.25708848714474 158.925 > 7 9 Tb 0.25968299772986 0.58333333333333 0.25708848714474 158.925 > 7 10 Tb 0.75968299772986 0.58333333333333 0.25708848714474 158.925 > 7 11 Tb 0.25968299772986 0.91666666666667 0.25708848714474 158.925 > 7 12 Tb 0.75968299772986 0.91666666666667 0.25708848714474 158.925 > 7 13 Tb 0.24031700227014 0.08333333333333 0.74291151285526 158.925 > 13 14 Tb 0.74031700227014 0.08333333333333 0.74291151285526 158.925 > 13 15 Tb 0.24031700227014 0.41666666666667 0.74291151285526 158.925 > 13 16 Tb 0.74031700227014 0.41666666666667 0.74291151285526 158.925 > 13 17 Tb 0.24031700227014 0.75000000000000 0.74291151285526 158.925 > 13 18 Tb 0.74031700227014 0.75000000000000 0.74291151285526 158.925 > 13 19 Tb 0.00968299772986 0.25000000000000 0.24291151285526 158.925 > 19 20 Tb 0.50968299772986 0.25000000000000 0.24291151285526 158.925 > 19 21 Tb 0.00968299772986 0.58333333333333 0.24291151285526 158.925 > 19 22 Tb 0.50968299772986 0.58333333333333 0.24291151285526 158.925 > 19 23 Tb 0.00968299772986 0.91666666666667 0.24291151285526 158.925 > 19 24 Tb 0.50968299772986 0.91666666666667 0.24291151285526 158.925 > 19 25 Cu 0.11822880448022 0.25000000000000 0.72069945744100 63.546 > 25 26 Cu 0.61822880448022 0.25000000000000 0.72069945744100 63.546 > 25 27 Cu 0.11822880448022 0.58333333333333 0.72069945744100 63.546 > 25 28 Cu 0.61822880448022 0.58333333333333 0.72069945744100 63.546 > 25 29 Cu 0.11822880448022 0.91666666666667 0.72069945744100 63.546 > 25 30 Cu 0.61822880448022 0.91666666666667 0.72069945744100 63.546 > 25 31 Cu 0.13177119551978 0.08333333333333 0.22069945744100 63.546 > 31 32 Cu 0.63177119551978 0.08333333333333 0.22069945744100 63.546 > 31 33 Cu 0.13177119551978 0.41666666666667 0.22069945744100 63.546 > 31 34 Cu 0.63177119551978 0.41666666666667 0.22069945744100 63.546 > 31 35 Cu 0.13177119551978 0.75000000000000 0.22069945744100 63.546 > 31 36 Cu 0.63177119551978 0.75000000000000 0.22069945744100 63.546 > 31 37 Cu 0.36822880448022 0.25000000000000 0.77930054255900 63.546 > 37 38 Cu 0.86822880448022 0.25000000000000 0.77930054255900 63.546 > 37 39 Cu 0.36822880448022 0.58333333333333 0.77930054255900 63.546 > 37 40 Cu 0.86822880448022 0.58333333333333 0.77930054255900 63.546 > 37 41 Cu 0.36822880448022 0.91666666666667 0.77930054255900 63.546 > 37 42 Cu 0.86822880448022 0.91666666666667 0.77930054255900 63.546 > 37 43 Cu 0.38177119551978 0.08333333333333 0.27930054255900 63.546 > 43 44 Cu 0.88177119551978 0.08333333333333 0.27930054255900 63.546 > 43 45 Cu 0.38177119551978 0.41666666666667 0.27930054255900 63.546 > 43 46 Cu 0.88177119551978 0.41666666666667 0.27930054255900 63.546 > 43 47 Cu 0.38177119551978 0.75000000000000 0.27930054255900 63.546 > 43 48 Cu 0.88177119551978 0.75000000000000 0.27930054255900 63.546 > 43 49 Pb 0.11153238714097 0.08333333333333 0.50582272854600 207.200 > 49 50 Pb 0.61153238714097 0.08333333333333 0.50582272854600 207.200 > 49 51 Pb 0.11153238714097 0.41666666666667 0.50582272854600 207.200 > 49 52 Pb 0.61153238714097 0.41666666666667 0.50582272854600 207.200 > 49 53 Pb 0.11153238714097 0.75000000000000 0.50582272854600 207.200 > 49 54 Pb 0.61153238714097 0.75000000000000 0.50582272854600 207.200 > 49 55 Pb 0.38846761285903 0.25000000000000 0.49417727145400 207.200 > 55 56 Pb 0.88846761285903 0.25000000000000 0.49417727145400 207.200 > 55 57 Pb 0.38846761285903 0.58333333333333 0.49417727145400 207.200 > 55 58 Pb 0.88846761285903 0.58333333333333 0.49417727145400 207.200 > 55 59 Pb 0.38846761285903 0.91666666666667 0.49417727145400 207.200 > 55 60 Pb 0.88846761285903 0.91666666666667 0.49417727145400 207.200 > 55 61 Pb 0.13846761285903 0.25000000000000 0.00582272854600 207.200 > 61 62 Pb 0.63846761285903 0.25000000000000 0.00582272854600 207.200 > 61 63 Pb 0.13846761285903 0.58333333333333 0.00582272854600 207.200 > 61 64 Pb 0.63846761285903 0.58333333333333 0.00582272854600 207.200 > 61 65 Pb 0.13846761285903 0.91666666666667 0.00582272854600 207.200 > 61 66 Pb 0.63846761285903 0.91666666666667 0.00582272854600 207.200 > 61 67 Pb 0.36153238714097 0.08333333333333 0.99417727145400 207.200 > 67 68 Pb 0.86153238714097 0.08333333333333 0.99417727145400 207.200 > 67 69 Pb 0.36153238714097 0.41666666666667 0.99417727145400 207.200 > 67 70 Pb 0.86153238714097 0.41666666666667 0.99417727145400 207.200 > 67 71 Pb 0.36153238714097 0.75000000000000 0.99417727145400 207.200 > 67 72 Pb 0.86153238714097 0.75000000000000 0.99417727145400 207.200 > 67 73 Se 0.47620116733269 0.08333333333333 0.38718436294766 78.960 > 73 74 Se 0.97620116733269 0.08333333333333 0.38718436294766 78.960 > 73 75 Se 0.47620116733269 0.41666666666667 0.38718436294766 78.960 > 73 76 Se 0.97620116733269 0.41666666666667 0.38718436294766 78.960 > 73 77 Se 0.47620116733269 0.75000000000000 0.38718436294766 78.960 > 73 78 Se 0.97620116733269 0.75000000000000 0.38718436294766 78.960 > 73 79 Se 0.45634643460389 0.25000000000000 0.89648699415508 78.960 > 79 80 Se 0.95634643460389 0.25000000000000 0.89648699415508 78.960 > 79 81 Se 0.45634643460389 0.58333333333333 0.89648699415508 78.960 > 79 82 Se 0.95634643460389 0.58333333333333 0.89648699415508 78.960 > 79 83 Se 0.45634643460389 0.91666666666667 0.89648699415508 78.960 > 79 84 Se 0.95634643460389 0.91666666666667 0.89648699415508 78.960 > 79 85 Se 0.29365356539611 0.08333333333333 0.39648699415508 78.960 > 85 86 Se 0.79365356539611 0.08333333333333 0.39648699415508 78.960 > 85 87 Se 0.29365356539611 0.41666666666667 0.39648699415508 78.960 > 85 88 Se 0.79365356539611 0.41666666666667 0.39648699415508 78.960 > 85 89 Se 0.29365356539611 0.75000000000000 0.39648699415508 78.960 > 85 90 Se 0.79365356539611 0.75000000000000 0.39648699415508 78.960 > 85 91 Se 0.02379883266731 0.25000000000000 0.61281563705234 78.960 > 91 92 Se 0.52379883266731 0.25000000000000 0.61281563705234 78.960 > 91 93 Se 0.02379883266731 0.58333333333333 0.61281563705234 78.960 > 91 94 Se 0.52379883266731 0.58333333333333 0.61281563705234 78.960 > 91 95 Se 0.02379883266731 0.91666666666667 0.61281563705234 78.960 > 91 96 Se 0.52379883266731 0.91666666666667 0.61281563705234 78.960 > 91 97 Se 0.22620116733269 0.08333333333333 0.11281563705234 78.960 > 97 98 Se 0.72620116733269 0.08333333333333 0.11281563705234 78.960 > 97 99 Se 0.22620116733269 0.41666666666667 0.11281563705234 78.960 > 97 100 Se 0.72620116733269 0.41666666666667 0.11281563705234 78.960 > 97 101 Se 0.22620116733269 0.75000000000000 0.11281563705234 78.960 > 97 102 Se 0.72620116733269 0.75000000000000 0.11281563705234 78.960 > 97 103 Se 0.04365356539611 0.08333333333333 0.10351300584492 78.960 > 103 104 Se 0.54365356539611 0.08333333333333 0.10351300584492 78.960 > 103 105 Se 0.04365356539611 0.41666666666667 0.10351300584492 78.960 > 103 106 Se 0.54365356539611 0.41666666666667 0.10351300584492 78.960 > 103 107 Se 0.04365356539611 0.75000000000000 0.10351300584492 78.960 > 103 108 Se 0.54365356539611 0.75000000000000 0.10351300584492 78.960 > 103 109 Se 0.13268305815506 0.25000000000000 0.33004264766108 78.960 > 109 110 Se 0.63268305815506 0.25000000000000 0.33004264766108 78.960 > 109 111 Se 0.13268305815506 0.58333333333333 0.33004264766108 78.960 > 109 112 Se 0.63268305815506 0.58333333333333 0.33004264766108 78.960 > 109 113 Se 0.13268305815506 0.91666666666667 0.33004264766108 78.960 > 109 114 Se 0.63268305815506 0.91666666666667 0.33004264766108 78.960 > 109 115 Se 0.27379883266731 0.25000000000000 0.88718436294766 78.960 > 115 116 Se 0.77379883266731 0.25000000000000 0.88718436294766 78.960 > 115 117 Se 0.27379883266731 0.58333333333333 0.88718436294766 78.960 > 115 118 Se 0.77379883266731 0.58333333333333 0.88718436294766 78.960 > 115 119 Se 0.27379883266731 0.91666666666667 0.88718436294766 78.960 > 115 120 Se 0.77379883266731 0.91666666666667 0.88718436294766 78.960 > 115 121 Se 0.20634643460389 0.25000000000000 0.60351300584492 78.960 > 121 122 Se 0.70634643460389 0.25000000000000 0.60351300584492 78.960 > 121 123 Se 0.20634643460389 0.58333333333333 0.60351300584492 78.960 > 121 124 Se 0.70634643460389 0.58333333333333 0.60351300584492 78.960 > 121 125 Se 0.20634643460389 0.91666666666667 0.60351300584492 78.960 > 121 126 Se 0.70634643460389 0.91666666666667 0.60351300584492 78.960 > 121 127 Se 0.38268305815506 0.25000000000000 0.16995735233892 78.960 > 127 128 Se 0.88268305815506 0.25000000000000 0.16995735233892 78.960 > 127 129 Se 0.38268305815506 0.58333333333333 0.16995735233892 78.960 > 127 130 Se 0.88268305815506 0.58333333333333 0.16995735233892 78.960 > 127 131 Se 0.38268305815506 0.91666666666667 0.16995735233892 78.960 > 127 132 Se 0.88268305815506 0.91666666666667 0.16995735233892 78.960 > 127 133 Se 0.36731694184494 0.08333333333333 0.66995735233892 78.960 > 133 134 Se 0.86731694184494 0.08333333333333 0.66995735233892 78.960 > 133 135 Se 0.36731694184494 0.41666666666667 0.66995735233892 78.960 > 133 136 Se 0.86731694184494 0.41666666666667 0.66995735233892 78.960 > 133 137 Se 0.36731694184494 0.75000000000000 0.66995735233892 78.960 > 133 138 Se 0.86731694184494 0.75000000000000 0.66995735233892 78.960 > 133 139 Se 0.11731694184494 0.08333333333333 0.83004264766108 78.960 > 139 140 Se 0.61731694184494 0.08333333333333 0.83004264766108 78.960 > 139 141 Se 0.11731694184494 0.41666666666667 0.83004264766108 78.960 > 139 142 Se 0.61731694184494 0.41666666666667 0.83004264766108 78.960 > 139 143 Se 0.11731694184494 0.75000000000000 0.83004264766108 78.960 > 139 144 Se 0.61731694184494 0.75000000000000 0.83004264766108 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.4169074 0.0000000 0.0000000 0.0000000 13.8485192 0.0000000 0.0000000 0.0000000 11.9586432 -------------------------- Born effective charges -------------------------- 1 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 2 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 3 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 4 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 5 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 6 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 7 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 8 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 9 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 10 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 11 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 12 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 13 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 14 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 15 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 16 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 17 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 18 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 19 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 20 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 21 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 22 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 23 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 24 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 ---------------------------------------------------------------------------- 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[ 25, 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[ 73, 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[ 79, 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[ 109, 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 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:10:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:10:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.485909400000001 0.000000000000000 0.000000000000000 b 0.000000000000000 4.005928679999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): 1 Tb 0.98063400454027 0.25000000000000 0.75708848714474 158.925 2 Tb 0.51936599545973 0.75000000000000 0.25708848714474 158.925 3 Tb 0.48063400454027 0.25000000000000 0.74291151285526 158.925 4 Tb 0.01936599545973 0.75000000000000 0.24291151285526 158.925 5 Cu 0.23645760896043 0.75000000000000 0.72069945744100 63.546 6 Cu 0.26354239103957 0.25000000000000 0.22069945744100 63.546 7 Cu 0.73645760896043 0.75000000000000 0.77930054255900 63.546 8 Cu 0.76354239103957 0.25000000000000 0.27930054255900 63.546 9 Pb 0.22306477428195 0.25000000000000 0.50582272854600 207.200 10 Pb 0.77693522571805 0.75000000000000 0.49417727145400 207.200 11 Pb 0.27693522571805 0.75000000000000 0.00582272854600 207.200 12 Pb 0.72306477428195 0.25000000000000 0.99417727145400 207.200 13 Se 0.95240233466539 0.25000000000000 0.38718436294766 78.960 14 Se 0.91269286920778 0.75000000000000 0.89648699415508 78.960 15 Se 0.58730713079222 0.25000000000000 0.39648699415508 78.960 16 Se 0.04759766533461 0.75000000000000 0.61281563705234 78.960 17 Se 0.45240233466539 0.25000000000000 0.11281563705234 78.960 18 Se 0.08730713079222 0.25000000000000 0.10351300584492 78.960 19 Se 0.26536611631012 0.75000000000000 0.33004264766108 78.960 20 Se 0.54759766533461 0.75000000000000 0.88718436294766 78.960 21 Se 0.41269286920778 0.75000000000000 0.60351300584492 78.960 22 Se 0.76536611631012 0.75000000000000 0.16995735233892 78.960 23 Se 0.73463388368988 0.25000000000000 0.66995735233892 78.960 24 Se 0.23463388368988 0.25000000000000 0.83004264766108 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.971818800000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.017786039999994 0.000000000000000 c 0.000000000000000 0.000000000000000 13.380717219999999 Atomic positions (fractional): 1 Tb 0.49031700227014 0.08333333333333 0.75708848714474 158.925 > 1 2 Tb 0.99031700227014 0.08333333333333 0.75708848714474 158.925 > 1 3 Tb 0.49031700227014 0.41666666666667 0.75708848714474 158.925 > 1 4 Tb 0.99031700227014 0.41666666666667 0.75708848714474 158.925 > 1 5 Tb 0.49031700227014 0.75000000000000 0.75708848714474 158.925 > 1 6 Tb 0.99031700227014 0.75000000000000 0.75708848714474 158.925 > 1 7 Tb 0.25968299772986 0.25000000000000 0.25708848714474 158.925 > 7 8 Tb 0.75968299772986 0.25000000000000 0.25708848714474 158.925 > 7 9 Tb 0.25968299772986 0.58333333333333 0.25708848714474 158.925 > 7 10 Tb 0.75968299772986 0.58333333333333 0.25708848714474 158.925 > 7 11 Tb 0.25968299772986 0.91666666666667 0.25708848714474 158.925 > 7 12 Tb 0.75968299772986 0.91666666666667 0.25708848714474 158.925 > 7 13 Tb 0.24031700227014 0.08333333333333 0.74291151285526 158.925 > 13 14 Tb 0.74031700227014 0.08333333333333 0.74291151285526 158.925 > 13 15 Tb 0.24031700227014 0.41666666666667 0.74291151285526 158.925 > 13 16 Tb 0.74031700227014 0.41666666666667 0.74291151285526 158.925 > 13 17 Tb 0.24031700227014 0.75000000000000 0.74291151285526 158.925 > 13 18 Tb 0.74031700227014 0.75000000000000 0.74291151285526 158.925 > 13 19 Tb 0.00968299772986 0.25000000000000 0.24291151285526 158.925 > 19 20 Tb 0.50968299772986 0.25000000000000 0.24291151285526 158.925 > 19 21 Tb 0.00968299772986 0.58333333333333 0.24291151285526 158.925 > 19 22 Tb 0.50968299772986 0.58333333333333 0.24291151285526 158.925 > 19 23 Tb 0.00968299772986 0.91666666666667 0.24291151285526 158.925 > 19 24 Tb 0.50968299772986 0.91666666666667 0.24291151285526 158.925 > 19 25 Cu 0.11822880448022 0.25000000000000 0.72069945744100 63.546 > 25 26 Cu 0.61822880448022 0.25000000000000 0.72069945744100 63.546 > 25 27 Cu 0.11822880448022 0.58333333333333 0.72069945744100 63.546 > 25 28 Cu 0.61822880448022 0.58333333333333 0.72069945744100 63.546 > 25 29 Cu 0.11822880448022 0.91666666666667 0.72069945744100 63.546 > 25 30 Cu 0.61822880448022 0.91666666666667 0.72069945744100 63.546 > 25 31 Cu 0.13177119551978 0.08333333333333 0.22069945744100 63.546 > 31 32 Cu 0.63177119551978 0.08333333333333 0.22069945744100 63.546 > 31 33 Cu 0.13177119551978 0.41666666666667 0.22069945744100 63.546 > 31 34 Cu 0.63177119551978 0.41666666666667 0.22069945744100 63.546 > 31 35 Cu 0.13177119551978 0.75000000000000 0.22069945744100 63.546 > 31 36 Cu 0.63177119551978 0.75000000000000 0.22069945744100 63.546 > 31 37 Cu 0.36822880448022 0.25000000000000 0.77930054255900 63.546 > 37 38 Cu 0.86822880448022 0.25000000000000 0.77930054255900 63.546 > 37 39 Cu 0.36822880448022 0.58333333333333 0.77930054255900 63.546 > 37 40 Cu 0.86822880448022 0.58333333333333 0.77930054255900 63.546 > 37 41 Cu 0.36822880448022 0.91666666666667 0.77930054255900 63.546 > 37 42 Cu 0.86822880448022 0.91666666666667 0.77930054255900 63.546 > 37 43 Cu 0.38177119551978 0.08333333333333 0.27930054255900 63.546 > 43 44 Cu 0.88177119551978 0.08333333333333 0.27930054255900 63.546 > 43 45 Cu 0.38177119551978 0.41666666666667 0.27930054255900 63.546 > 43 46 Cu 0.88177119551978 0.41666666666667 0.27930054255900 63.546 > 43 47 Cu 0.38177119551978 0.75000000000000 0.27930054255900 63.546 > 43 48 Cu 0.88177119551978 0.75000000000000 0.27930054255900 63.546 > 43 49 Pb 0.11153238714097 0.08333333333333 0.50582272854600 207.200 > 49 50 Pb 0.61153238714097 0.08333333333333 0.50582272854600 207.200 > 49 51 Pb 0.11153238714097 0.41666666666667 0.50582272854600 207.200 > 49 52 Pb 0.61153238714097 0.41666666666667 0.50582272854600 207.200 > 49 53 Pb 0.11153238714097 0.75000000000000 0.50582272854600 207.200 > 49 54 Pb 0.61153238714097 0.75000000000000 0.50582272854600 207.200 > 49 55 Pb 0.38846761285903 0.25000000000000 0.49417727145400 207.200 > 55 56 Pb 0.88846761285903 0.25000000000000 0.49417727145400 207.200 > 55 57 Pb 0.38846761285903 0.58333333333333 0.49417727145400 207.200 > 55 58 Pb 0.88846761285903 0.58333333333333 0.49417727145400 207.200 > 55 59 Pb 0.38846761285903 0.91666666666667 0.49417727145400 207.200 > 55 60 Pb 0.88846761285903 0.91666666666667 0.49417727145400 207.200 > 55 61 Pb 0.13846761285903 0.25000000000000 0.00582272854600 207.200 > 61 62 Pb 0.63846761285903 0.25000000000000 0.00582272854600 207.200 > 61 63 Pb 0.13846761285903 0.58333333333333 0.00582272854600 207.200 > 61 64 Pb 0.63846761285903 0.58333333333333 0.00582272854600 207.200 > 61 65 Pb 0.13846761285903 0.91666666666667 0.00582272854600 207.200 > 61 66 Pb 0.63846761285903 0.91666666666667 0.00582272854600 207.200 > 61 67 Pb 0.36153238714097 0.08333333333333 0.99417727145400 207.200 > 67 68 Pb 0.86153238714097 0.08333333333333 0.99417727145400 207.200 > 67 69 Pb 0.36153238714097 0.41666666666667 0.99417727145400 207.200 > 67 70 Pb 0.86153238714097 0.41666666666667 0.99417727145400 207.200 > 67 71 Pb 0.36153238714097 0.75000000000000 0.99417727145400 207.200 > 67 72 Pb 0.86153238714097 0.75000000000000 0.99417727145400 207.200 > 67 73 Se 0.47620116733269 0.08333333333333 0.38718436294766 78.960 > 73 74 Se 0.97620116733269 0.08333333333333 0.38718436294766 78.960 > 73 75 Se 0.47620116733269 0.41666666666667 0.38718436294766 78.960 > 73 76 Se 0.97620116733269 0.41666666666667 0.38718436294766 78.960 > 73 77 Se 0.47620116733269 0.75000000000000 0.38718436294766 78.960 > 73 78 Se 0.97620116733269 0.75000000000000 0.38718436294766 78.960 > 73 79 Se 0.45634643460389 0.25000000000000 0.89648699415508 78.960 > 79 80 Se 0.95634643460389 0.25000000000000 0.89648699415508 78.960 > 79 81 Se 0.45634643460389 0.58333333333333 0.89648699415508 78.960 > 79 82 Se 0.95634643460389 0.58333333333333 0.89648699415508 78.960 > 79 83 Se 0.45634643460389 0.91666666666667 0.89648699415508 78.960 > 79 84 Se 0.95634643460389 0.91666666666667 0.89648699415508 78.960 > 79 85 Se 0.29365356539611 0.08333333333333 0.39648699415508 78.960 > 85 86 Se 0.79365356539611 0.08333333333333 0.39648699415508 78.960 > 85 87 Se 0.29365356539611 0.41666666666667 0.39648699415508 78.960 > 85 88 Se 0.79365356539611 0.41666666666667 0.39648699415508 78.960 > 85 89 Se 0.29365356539611 0.75000000000000 0.39648699415508 78.960 > 85 90 Se 0.79365356539611 0.75000000000000 0.39648699415508 78.960 > 85 91 Se 0.02379883266731 0.25000000000000 0.61281563705234 78.960 > 91 92 Se 0.52379883266731 0.25000000000000 0.61281563705234 78.960 > 91 93 Se 0.02379883266731 0.58333333333333 0.61281563705234 78.960 > 91 94 Se 0.52379883266731 0.58333333333333 0.61281563705234 78.960 > 91 95 Se 0.02379883266731 0.91666666666667 0.61281563705234 78.960 > 91 96 Se 0.52379883266731 0.91666666666667 0.61281563705234 78.960 > 91 97 Se 0.22620116733269 0.08333333333333 0.11281563705234 78.960 > 97 98 Se 0.72620116733269 0.08333333333333 0.11281563705234 78.960 > 97 99 Se 0.22620116733269 0.41666666666667 0.11281563705234 78.960 > 97 100 Se 0.72620116733269 0.41666666666667 0.11281563705234 78.960 > 97 101 Se 0.22620116733269 0.75000000000000 0.11281563705234 78.960 > 97 102 Se 0.72620116733269 0.75000000000000 0.11281563705234 78.960 > 97 103 Se 0.04365356539611 0.08333333333333 0.10351300584492 78.960 > 103 104 Se 0.54365356539611 0.08333333333333 0.10351300584492 78.960 > 103 105 Se 0.04365356539611 0.41666666666667 0.10351300584492 78.960 > 103 106 Se 0.54365356539611 0.41666666666667 0.10351300584492 78.960 > 103 107 Se 0.04365356539611 0.75000000000000 0.10351300584492 78.960 > 103 108 Se 0.54365356539611 0.75000000000000 0.10351300584492 78.960 > 103 109 Se 0.13268305815506 0.25000000000000 0.33004264766108 78.960 > 109 110 Se 0.63268305815506 0.25000000000000 0.33004264766108 78.960 > 109 111 Se 0.13268305815506 0.58333333333333 0.33004264766108 78.960 > 109 112 Se 0.63268305815506 0.58333333333333 0.33004264766108 78.960 > 109 113 Se 0.13268305815506 0.91666666666667 0.33004264766108 78.960 > 109 114 Se 0.63268305815506 0.91666666666667 0.33004264766108 78.960 > 109 115 Se 0.27379883266731 0.25000000000000 0.88718436294766 78.960 > 115 116 Se 0.77379883266731 0.25000000000000 0.88718436294766 78.960 > 115 117 Se 0.27379883266731 0.58333333333333 0.88718436294766 78.960 > 115 118 Se 0.77379883266731 0.58333333333333 0.88718436294766 78.960 > 115 119 Se 0.27379883266731 0.91666666666667 0.88718436294766 78.960 > 115 120 Se 0.77379883266731 0.91666666666667 0.88718436294766 78.960 > 115 121 Se 0.20634643460389 0.25000000000000 0.60351300584492 78.960 > 121 122 Se 0.70634643460389 0.25000000000000 0.60351300584492 78.960 > 121 123 Se 0.20634643460389 0.58333333333333 0.60351300584492 78.960 > 121 124 Se 0.70634643460389 0.58333333333333 0.60351300584492 78.960 > 121 125 Se 0.20634643460389 0.91666666666667 0.60351300584492 78.960 > 121 126 Se 0.70634643460389 0.91666666666667 0.60351300584492 78.960 > 121 127 Se 0.38268305815506 0.25000000000000 0.16995735233892 78.960 > 127 128 Se 0.88268305815506 0.25000000000000 0.16995735233892 78.960 > 127 129 Se 0.38268305815506 0.58333333333333 0.16995735233892 78.960 > 127 130 Se 0.88268305815506 0.58333333333333 0.16995735233892 78.960 > 127 131 Se 0.38268305815506 0.91666666666667 0.16995735233892 78.960 > 127 132 Se 0.88268305815506 0.91666666666667 0.16995735233892 78.960 > 127 133 Se 0.36731694184494 0.08333333333333 0.66995735233892 78.960 > 133 134 Se 0.86731694184494 0.08333333333333 0.66995735233892 78.960 > 133 135 Se 0.36731694184494 0.41666666666667 0.66995735233892 78.960 > 133 136 Se 0.86731694184494 0.41666666666667 0.66995735233892 78.960 > 133 137 Se 0.36731694184494 0.75000000000000 0.66995735233892 78.960 > 133 138 Se 0.86731694184494 0.75000000000000 0.66995735233892 78.960 > 133 139 Se 0.11731694184494 0.08333333333333 0.83004264766108 78.960 > 139 140 Se 0.61731694184494 0.08333333333333 0.83004264766108 78.960 > 139 141 Se 0.11731694184494 0.41666666666667 0.83004264766108 78.960 > 139 142 Se 0.61731694184494 0.41666666666667 0.83004264766108 78.960 > 139 143 Se 0.11731694184494 0.75000000000000 0.83004264766108 78.960 > 139 144 Se 0.61731694184494 0.75000000000000 0.83004264766108 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.4169074 0.0000000 0.0000000 0.0000000 13.8485192 0.0000000 0.0000000 0.0000000 11.9586432 -------------------------- Born effective charges -------------------------- 1 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 2 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 3 Tb 5.1015852 0.0000000 1.0582096 0.0000000 4.5449931 0.0000000 -0.3800363 0.0000000 3.3173428 4 Tb 5.1015852 0.0000000 -1.0582096 0.0000000 4.5449931 0.0000000 0.3800363 0.0000000 3.3173428 5 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 6 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 7 Cu 0.2964627 0.0000000 -0.2216658 0.0000000 0.9187830 0.0000000 -0.1709670 0.0000000 0.8103729 8 Cu 0.2964627 0.0000000 0.2216658 0.0000000 0.9187830 0.0000000 0.1709670 0.0000000 0.8103729 9 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 10 Pb 3.9112642 0.0000000 0.0343317 0.0000000 5.0454955 0.0000000 0.4511857 0.0000000 4.6350422 11 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 12 Pb 3.9112642 0.0000000 -0.0343317 0.0000000 5.0454955 0.0000000 -0.4511857 0.0000000 4.6350422 13 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 14 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 15 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 16 Se -3.0285952 0.0000000 0.6897347 0.0000000 -3.8611072 0.0000000 0.1107635 0.0000000 -3.1624829 17 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 18 Se -2.5402893 0.0000000 1.4394581 0.0000000 -3.8642638 0.0000000 0.7858558 0.0000000 -2.8033686 19 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 20 Se -3.0285952 0.0000000 -0.6897347 0.0000000 -3.8611072 0.0000000 -0.1107635 0.0000000 -3.1624829 21 Se -2.5402893 0.0000000 -1.4394581 0.0000000 -3.8642638 0.0000000 -0.7858558 0.0000000 -2.8033686 22 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 23 Se -3.7404275 0.0000000 0.4982439 0.0000000 -2.7839006 0.0000000 0.2530480 0.0000000 -2.7969063 24 Se -3.7404275 0.0000000 -0.4982439 0.0000000 -2.7839006 0.0000000 -0.2530480 0.0000000 -2.7969063 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 12 4 ] 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: 0.50, Number of G-points: 283, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.685 ( 0.000 0.000 0.000) 0.000 0.762 ( 0.000 0.000 0.000) 0.000 0.873 ( 0.000 0.000 0.000) 0.000 0.945 ( 0.000 0.000 0.000) 0.000 1.005 ( 0.000 0.000 0.000) 0.000 1.013 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.185 ( 0.000 0.000 0.000) 0.000 1.235 ( 0.000 0.000 0.000) 0.000 1.386 ( 0.000 0.000 0.000) 0.000 1.491 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.925 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.030 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.257 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.488 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 3.541 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.777 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.113 ( 0.000 0.000 0.000) 0.000 4.196 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.503 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.593 ( 0.000 0.000 0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.935 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 14.075 0.000 0.000) 14.075 0.356 ( 17.359 0.000 0.000) 17.359 0.580 ( 19.965 0.000 0.000) 19.965 0.781 ( 1.937 0.000 0.000) 1.937 0.835 ( 11.216 0.000 0.000) 11.216 0.859 ( -1.634 0.000 0.000) 1.634 0.928 ( -1.766 0.000 0.000) 1.766 1.014 ( 0.514 0.000 0.000) 0.514 1.061 ( -1.643 0.000 0.000) 1.643 1.174 ( 12.300 0.000 0.000) 12.300 1.201 ( -2.795 0.000 0.000) 2.795 1.202 ( 1.955 0.000 0.000) 1.955 1.415 ( 2.953 0.000 0.000) 2.953 1.493 ( -4.307 0.000 0.000) 4.307 1.566 ( 5.942 0.000 0.000) 5.942 1.638 ( -3.490 0.000 0.000) 3.490 1.644 ( -2.467 0.000 0.000) 2.467 1.726 ( 11.816 0.000 0.000) 11.816 1.882 ( -2.297 0.000 0.000) 2.297 2.026 ( 0.346 0.000 0.000) 0.346 2.027 ( -0.171 0.000 0.000) 0.171 2.038 ( 4.300 0.000 0.000) 4.300 2.043 ( -0.367 0.000 0.000) 0.367 2.056 ( -0.320 0.000 0.000) 0.320 2.165 ( -3.692 0.000 0.000) 3.692 2.330 ( -2.250 0.000 0.000) 2.250 2.403 ( 1.796 0.000 0.000) 1.796 2.451 ( -1.333 0.000 0.000) 1.333 2.521 ( 3.300 0.000 0.000) 3.300 2.563 ( -1.932 0.000 0.000) 1.932 2.719 ( -1.824 0.000 0.000) 1.824 2.765 ( -2.704 0.000 0.000) 2.704 2.822 ( 2.209 0.000 0.000) 2.209 2.856 ( 4.342 0.000 0.000) 4.342 3.395 ( -14.148 0.000 0.000) 14.148 3.576 ( -13.466 0.000 0.000) 13.466 3.656 ( 0.176 0.000 0.000) 0.176 3.710 ( -1.632 0.000 0.000) 1.632 3.795 ( 1.263 0.000 0.000) 1.263 3.828 ( -0.097 0.000 0.000) 0.097 3.940 ( 0.563 0.000 0.000) 0.563 3.973 ( -0.252 0.000 0.000) 0.252 3.998 ( 0.384 0.000 0.000) 0.384 4.047 ( -0.690 0.000 0.000) 0.690 4.159 ( 4.196 0.000 0.000) 4.196 4.214 ( 1.797 0.000 0.000) 1.797 4.285 ( 2.043 0.000 0.000) 2.043 4.452 ( 0.332 0.000 0.000) 0.332 4.468 ( -2.662 0.000 0.000) 2.662 4.495 ( -0.724 0.000 0.000) 0.724 4.534 ( -1.744 0.000 0.000) 1.744 4.579 ( 0.179 0.000 0.000) 0.179 4.580 ( 0.791 0.000 0.000) 0.791 4.592 ( -0.124 0.000 0.000) 0.124 4.597 ( -0.728 0.000 0.000) 0.728 4.763 ( -6.563 0.000 0.000) 6.563 4.837 ( -3.197 0.000 0.000) 3.197 4.856 ( -1.764 0.000 0.000) 1.764 4.920 ( 1.560 0.000 0.000) 1.560 4.988 ( -1.333 0.000 0.000) 1.333 5.103 ( 2.614 0.000 0.000) 2.614 5.256 ( -3.081 0.000 0.000) 3.081 5.257 ( 6.683 0.000 0.000) 6.683 5.339 ( 1.012 0.000 0.000) 1.012 5.383 ( 3.020 0.000 0.000) 3.020 5.480 ( 2.395 0.000 0.000) 2.395 5.553 ( 5.804 0.000 0.000) 5.804 5.579 ( 2.134 0.000 0.000) 2.134 5.625 ( 1.593 0.000 0.000) 1.593 5.709 ( 1.442 0.000 0.000) 1.442 5.897 ( -2.167 0.000 0.000) 2.167 6.005 ( -4.007 0.000 0.000) 4.007 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 12.050 0.000 0.000) 12.050 0.638 ( 11.692 0.000 0.000) 11.692 0.709 ( -4.506 0.000 0.000) 4.506 0.797 ( -5.302 0.000 0.000) 5.302 0.829 ( 2.872 0.000 0.000) 2.872 0.883 ( 2.250 0.000 0.000) 2.250 0.883 ( -2.712 0.000 0.000) 2.712 0.978 ( -4.940 0.000 0.000) 4.940 1.191 ( 2.746 0.000 0.000) 2.746 1.241 ( 2.978 0.000 0.000) 2.978 1.267 ( 4.994 0.000 0.000) 4.994 1.323 ( 10.858 0.000 0.000) 10.858 1.384 ( -6.617 0.000 0.000) 6.617 1.490 ( 4.552 0.000 0.000) 4.552 1.529 ( -8.061 0.000 0.000) 8.061 1.577 ( -4.338 0.000 0.000) 4.338 1.746 ( 9.536 0.000 0.000) 9.536 1.845 ( -2.257 0.000 0.000) 2.257 2.027 ( 0.205 0.000 0.000) 0.205 2.030 ( 16.285 0.000 0.000) 16.285 2.034 ( -0.178 0.000 0.000) 0.178 2.036 ( 0.263 0.000 0.000) 0.263 2.047 ( -0.560 0.000 0.000) 0.560 2.119 ( 3.334 0.000 0.000) 3.334 2.147 ( 2.326 0.000 0.000) 2.326 2.257 ( -5.726 0.000 0.000) 5.726 2.363 ( -0.399 0.000 0.000) 0.399 2.477 ( -7.920 0.000 0.000) 7.920 2.530 ( 6.294 0.000 0.000) 6.294 2.603 ( 4.944 0.000 0.000) 4.944 2.650 ( -5.489 0.000 0.000) 5.489 2.695 ( -4.427 0.000 0.000) 4.427 2.893 ( 5.990 0.000 0.000) 5.990 2.988 ( 10.220 0.000 0.000) 10.220 3.088 ( -14.977 0.000 0.000) 14.977 3.262 ( -17.444 0.000 0.000) 17.444 3.663 ( 0.624 0.000 0.000) 0.624 3.681 ( -1.258 0.000 0.000) 1.258 3.815 ( 0.725 0.000 0.000) 0.725 3.824 ( -0.300 0.000 0.000) 0.300 3.953 ( 0.751 0.000 0.000) 0.751 3.966 ( -0.514 0.000 0.000) 0.514 4.010 ( 0.880 0.000 0.000) 0.880 4.030 ( -1.082 0.000 0.000) 1.082 4.237 ( 2.963 0.000 0.000) 2.963 4.251 ( 1.326 0.000 0.000) 1.326 4.338 ( 3.359 0.000 0.000) 3.359 4.406 ( -3.612 0.000 0.000) 3.612 4.462 ( 0.723 0.000 0.000) 0.723 4.478 ( -0.964 0.000 0.000) 0.964 4.516 ( 0.344 0.000 0.000) 0.344 4.557 ( -3.256 0.000 0.000) 3.256 4.584 ( 0.259 0.000 0.000) 0.259 4.588 ( -0.226 0.000 0.000) 0.226 4.602 ( 1.594 0.000 0.000) 1.594 4.649 ( -3.941 0.000 0.000) 3.941 4.810 ( -0.191 0.000 0.000) 0.191 4.824 ( -1.457 0.000 0.000) 1.457 4.947 ( 1.138 0.000 0.000) 1.138 4.965 ( -0.962 0.000 0.000) 0.962 5.150 ( 2.457 0.000 0.000) 2.457 5.200 ( -2.781 0.000 0.000) 2.781 5.327 ( 1.523 0.000 0.000) 1.523 5.344 ( -0.373 0.000 0.000) 0.373 5.468 ( 4.042 0.000 0.000) 4.042 5.508 ( -0.147 0.000 0.000) 0.147 5.626 ( 2.040 0.000 0.000) 2.040 5.631 ( 1.739 0.000 0.000) 1.739 5.696 ( 5.182 0.000 0.000) 5.182 5.747 ( 1.438 0.000 0.000) 1.438 5.849 ( -1.386 0.000 0.000) 1.386 5.907 ( -5.563 0.000 0.000) 5.563 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 0.000 16.951 0.000) 16.951 0.398 ( 0.000 19.637 0.000) 19.637 0.670 ( 0.000 22.981 0.000) 22.981 0.785 ( 0.000 15.939 0.000) 15.939 0.893 ( 0.000 -0.531 0.000) 0.531 0.961 ( 0.000 15.639 0.000) 15.639 1.016 ( 0.000 11.407 0.000) 11.407 1.037 ( 0.000 3.028 0.000) 3.028 1.047 ( 0.000 2.420 0.000) 2.420 1.127 ( 0.000 5.869 0.000) 5.869 1.147 ( 0.000 -5.509 0.000) 5.509 1.356 ( 0.000 -1.750 0.000) 1.750 1.384 ( 0.000 -6.402 0.000) 6.402 1.391 ( 0.000 -7.646 0.000) 7.646 1.664 ( 0.000 2.940 0.000) 2.940 1.699 ( 0.000 -2.539 0.000) 2.539 1.729 ( 0.000 0.771 0.000) 0.771 1.763 ( 0.000 5.244 0.000) 5.244 1.929 ( 0.000 5.039 0.000) 5.039 1.952 ( 0.000 5.301 0.000) 5.301 2.111 ( 0.000 6.751 0.000) 6.751 2.123 ( 0.000 3.827 0.000) 3.827 2.167 ( 0.000 10.486 0.000) 10.486 2.229 ( 0.000 9.472 0.000) 9.472 2.269 ( 0.000 5.488 0.000) 5.488 2.271 ( 0.000 1.070 0.000) 1.070 2.357 ( 0.000 0.722 0.000) 0.722 2.464 ( 0.000 1.878 0.000) 1.878 2.489 ( 0.000 0.277 0.000) 0.277 2.527 ( 0.000 -1.309 0.000) 1.309 2.546 ( 0.000 -2.809 0.000) 2.809 2.670 ( 0.000 -5.037 0.000) 5.037 2.773 ( 0.000 -2.173 0.000) 2.173 2.786 ( 0.000 -0.603 0.000) 0.603 3.519 ( 0.000 -1.266 0.000) 1.266 3.671 ( 0.000 -3.710 0.000) 3.710 3.802 ( 0.000 5.826 0.000) 5.826 3.885 ( 0.000 8.442 0.000) 8.442 3.891 ( 0.000 0.682 0.000) 0.682 3.912 ( 0.000 0.154 0.000) 0.154 3.985 ( 0.000 4.306 0.000) 4.306 4.006 ( 0.000 6.058 0.000) 6.058 4.036 ( 0.000 3.402 0.000) 3.402 4.132 ( 0.000 1.727 0.000) 1.727 4.142 ( 0.000 5.367 0.000) 5.367 4.202 ( 0.000 1.154 0.000) 1.154 4.263 ( 0.000 0.008 0.000) 0.008 4.484 ( 0.000 -1.144 0.000) 1.144 4.489 ( 0.000 -0.957 0.000) 0.957 4.490 ( 0.000 2.508 0.000) 2.508 4.531 ( 0.000 -2.136 0.000) 2.136 4.566 ( 0.000 0.704 0.000) 0.704 4.607 ( 0.000 2.911 0.000) 2.911 4.618 ( 0.000 2.545 0.000) 2.545 4.792 ( 0.000 -1.231 0.000) 1.231 4.879 ( 0.000 -1.470 0.000) 1.470 4.880 ( 0.000 -0.270 0.000) 0.270 4.917 ( 0.000 -1.882 0.000) 1.882 4.967 ( 0.000 0.152 0.000) 0.152 4.996 ( 0.000 0.536 0.000) 0.536 5.036 ( 0.000 -2.216 0.000) 2.216 5.228 ( 0.000 -1.253 0.000) 1.253 5.264 ( 0.000 -3.627 0.000) 3.627 5.308 ( 0.000 -0.351 0.000) 0.351 5.310 ( 0.000 -3.737 0.000) 3.737 5.431 ( 0.000 0.283 0.000) 0.283 5.437 ( 0.000 -1.451 0.000) 1.451 5.464 ( 0.000 -1.341 0.000) 1.341 5.572 ( 0.000 -1.533 0.000) 1.533 5.600 ( 0.000 -1.131 0.000) 1.131 5.696 ( 0.000 0.122 0.000) 0.122 5.974 ( 0.000 -6.346 0.000) 6.346 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 5.595 14.920 0.000) 15.934 0.474 ( 6.372 11.407 0.000) 13.066 0.793 ( 6.814 8.686 0.000) 11.040 0.903 ( 0.352 0.656 0.000) 0.745 0.907 ( 2.668 13.135 0.000) 13.403 0.992 ( 2.321 11.719 0.000) 11.947 1.006 ( -0.979 10.240 0.000) 10.287 1.053 ( 12.526 8.409 0.000) 15.087 1.106 ( -1.384 -1.628 0.000) 2.137 1.124 ( -2.293 2.779 0.000) 3.603 1.215 ( 10.530 4.764 0.000) 11.557 1.376 ( -1.293 -5.499 0.000) 5.649 1.376 ( 5.362 -2.800 0.000) 6.049 1.493 ( 7.500 -3.759 0.000) 8.390 1.557 ( -9.428 14.044 0.000) 16.915 1.688 ( -1.421 0.520 0.000) 1.513 1.709 ( -1.933 -0.745 0.000) 2.071 1.737 ( 8.368 2.355 0.000) 8.693 1.896 ( -3.221 7.413 0.000) 8.083 1.978 ( 2.232 2.880 0.000) 3.644 2.078 ( -1.825 3.678 0.000) 4.106 2.135 ( 0.705 6.064 0.000) 6.105 2.152 ( -0.963 9.374 0.000) 9.423 2.230 ( -1.562 7.415 0.000) 7.578 2.245 ( 1.165 9.605 0.000) 9.675 2.337 ( -2.094 0.957 0.000) 2.302 2.361 ( 2.870 -2.512 0.000) 3.814 2.465 ( -0.953 1.509 0.000) 1.785 2.525 ( 3.492 0.480 0.000) 3.525 2.532 ( -1.846 -2.719 0.000) 3.286 2.645 ( 9.516 -6.517 0.000) 11.534 2.659 ( -1.390 -4.724 0.000) 4.924 2.761 ( -2.455 -0.374 0.000) 2.484 2.814 ( 4.067 -2.636 0.000) 4.847 3.374 ( -14.302 -1.349 0.000) 14.365 3.529 ( -13.736 -3.982 0.000) 14.301 3.796 ( -0.609 6.234 0.000) 6.263 3.846 ( -3.201 4.223 0.000) 5.300 3.883 ( -0.031 7.621 0.000) 7.621 3.909 ( -0.599 4.943 0.000) 4.979 3.997 ( 0.889 1.482 0.000) 1.728 4.006 ( -0.007 5.468 0.000) 5.468 4.032 ( -0.139 3.093 0.000) 3.097 4.082 ( -3.367 5.303 0.000) 6.282 4.187 ( 4.052 3.042 0.000) 5.067 4.228 ( 2.256 1.653 0.000) 2.797 4.284 ( 2.133 0.160 0.000) 2.139 4.454 ( -2.508 -1.173 0.000) 2.769 4.480 ( -1.222 -1.141 0.000) 1.672 4.480 ( -1.115 0.898 0.000) 1.432 4.525 ( -0.085 -0.100 0.000) 0.131 4.570 ( 0.487 0.919 0.000) 1.041 4.593 ( -1.345 2.529 0.000) 2.864 4.624 ( 0.668 2.678 0.000) 2.760 4.735 ( -5.261 3.574 0.000) 6.360 4.790 ( -7.714 4.071 0.000) 8.722 4.848 ( -3.769 0.912 0.000) 3.877 4.853 ( -1.572 -0.342 0.000) 1.609 4.903 ( 1.208 -1.632 0.000) 2.031 4.952 ( -1.330 -3.315 0.000) 3.572 5.104 ( 2.100 0.011 0.000) 2.100 5.227 ( -2.828 -2.801 0.000) 3.980 5.250 ( 6.273 -0.948 0.000) 6.344 5.325 ( 0.990 -0.988 0.000) 1.398 5.372 ( 2.594 -1.160 0.000) 2.842 5.468 ( 2.400 -1.118 0.000) 2.648 5.531 ( 5.674 -1.993 0.000) 6.014 5.544 ( 3.255 -3.443 0.000) 4.738 5.608 ( 0.979 -1.414 0.000) 1.719 5.687 ( 6.509 -9.974 0.000) 11.910 5.704 ( 1.554 -0.941 0.000) 1.817 5.939 ( -3.548 -5.902 0.000) 6.886 ======================= Grid point 7 (6/63) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 3.745 6.334 0.000) 7.359 0.566 ( 3.102 3.111 0.000) 4.393 0.864 ( 1.207 2.405 0.000) 2.691 0.884 ( -1.778 2.468 0.000) 3.042 0.940 ( 0.877 11.031 0.000) 11.065 0.972 ( -2.436 7.956 0.000) 8.320 0.987 ( 2.510 9.052 0.000) 9.394 1.061 ( -4.017 7.325 0.000) 8.354 1.131 ( 4.146 -2.147 0.000) 4.669 1.219 ( -3.464 -0.292 0.000) 3.476 1.330 ( 3.933 6.920 0.000) 7.960 1.353 ( -0.923 0.862 0.000) 1.263 1.492 ( 6.571 10.608 0.000) 12.478 1.567 ( 6.958 5.782 0.000) 9.047 1.628 ( -5.217 5.242 0.000) 7.396 1.660 ( -3.489 0.312 0.000) 3.503 1.677 ( 9.877 -2.508 0.000) 10.191 1.814 ( -5.225 5.259 0.000) 7.414 1.995 ( 13.221 1.520 0.000) 13.308 2.022 ( 2.049 2.462 0.000) 3.203 2.063 ( 1.047 3.511 0.000) 3.664 2.140 ( -0.732 7.990 0.000) 8.023 2.182 ( 3.747 3.265 0.000) 4.970 2.220 ( 2.926 9.667 0.000) 10.100 2.246 ( -2.992 3.620 0.000) 4.696 2.291 ( -1.276 7.018 0.000) 7.133 2.361 ( -0.977 0.522 0.000) 1.107 2.448 ( -7.675 -2.501 0.000) 8.072 2.509 ( 5.106 -1.344 0.000) 5.279 2.607 ( -4.192 -3.396 0.000) 5.395 2.608 ( 4.877 0.438 0.000) 4.896 2.697 ( -4.181 0.142 0.000) 4.183 2.811 ( 9.057 -5.024 0.000) 10.357 2.940 ( 9.982 -3.930 0.000) 10.728 3.051 ( -16.642 -2.318 0.000) 16.803 3.211 ( -17.488 -4.378 0.000) 18.028 3.786 ( -0.145 6.995 0.000) 6.996 3.799 ( -1.563 7.286 0.000) 7.452 3.886 ( 0.330 6.322 0.000) 6.330 3.896 ( -0.661 5.784 0.000) 5.821 4.007 ( 0.073 4.550 0.000) 4.551 4.008 ( 0.148 3.025 0.000) 3.029 4.033 ( 0.225 2.434 0.000) 2.445 4.042 ( -0.934 2.696 0.000) 2.853 4.260 ( 2.689 2.443 0.000) 3.633 4.270 ( 1.487 2.003 0.000) 2.494 4.337 ( 3.160 0.154 0.000) 3.164 4.399 ( -3.195 -0.476 0.000) 3.230 4.453 ( -1.094 -1.682 0.000) 2.006 4.454 ( -1.142 -1.186 0.000) 1.646 4.536 ( 1.210 1.308 0.000) 1.782 4.564 ( -1.547 1.355 0.000) 2.056 4.592 ( 2.053 2.192 0.000) 3.004 4.644 ( 1.385 3.015 0.000) 3.318 4.653 ( -3.971 4.061 0.000) 5.680 4.684 ( -3.371 3.165 0.000) 4.624 4.812 ( -0.401 0.199 0.000) 0.448 4.823 ( -1.322 -0.019 0.000) 1.322 4.923 ( 0.794 -2.340 0.000) 2.472 4.935 ( -0.592 -2.961 0.000) 3.020 5.137 ( 1.769 -1.007 0.000) 2.036 5.176 ( -2.352 -2.059 0.000) 3.125 5.319 ( 1.331 -0.705 0.000) 1.506 5.332 ( -0.181 -0.968 0.000) 0.984 5.454 ( 4.312 -1.427 0.000) 4.542 5.496 ( -0.144 -1.119 0.000) 1.128 5.600 ( 2.568 -2.448 0.000) 3.548 5.615 ( 1.525 -1.421 0.000) 2.085 5.651 ( 3.910 -3.828 0.000) 5.472 5.704 ( -0.913 -4.253 0.000) 4.350 5.771 ( 3.003 -5.189 0.000) 5.995 5.852 ( -5.063 -4.852 0.000) 7.012 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 0.000 14.034 0.000) 14.034 0.803 ( 0.000 18.576 0.000) 18.576 0.874 ( 0.000 7.051 0.000) 7.051 0.939 ( 0.000 4.477 0.000) 4.477 1.047 ( 0.000 -2.441 0.000) 2.441 1.113 ( 0.000 4.786 0.000) 4.786 1.116 ( 0.000 5.843 0.000) 5.843 1.169 ( 0.000 -0.732 0.000) 0.732 1.281 ( 0.000 11.236 0.000) 11.236 1.283 ( 0.000 5.363 0.000) 5.363 1.288 ( 0.000 -2.351 0.000) 2.351 1.301 ( 0.000 -1.778 0.000) 1.778 1.369 ( 0.000 9.401 0.000) 9.401 1.379 ( 0.000 27.419 0.000) 27.419 1.603 ( 0.000 -4.104 0.000) 4.104 1.720 ( 0.000 3.044 0.000) 3.044 1.754 ( 0.000 3.135 0.000) 3.135 1.858 ( 0.000 3.970 0.000) 3.970 2.125 ( 0.000 9.952 0.000) 9.952 2.128 ( 0.000 11.214 0.000) 11.214 2.183 ( 0.000 3.740 0.000) 3.740 2.279 ( 0.000 -0.946 0.000) 0.946 2.328 ( 0.000 13.151 0.000) 13.151 2.356 ( 0.000 1.474 0.000) 1.474 2.396 ( 0.000 10.405 0.000) 10.405 2.397 ( 0.000 1.840 0.000) 1.840 2.411 ( 0.000 4.150 0.000) 4.150 2.478 ( 0.000 -1.434 0.000) 1.434 2.479 ( 0.000 -2.860 0.000) 2.860 2.542 ( 0.000 4.031 0.000) 4.031 2.547 ( 0.000 7.493 0.000) 7.493 2.589 ( 0.000 -0.638 0.000) 0.638 2.700 ( 0.000 -4.206 0.000) 4.206 2.760 ( 0.000 -2.078 0.000) 2.078 3.498 ( 0.000 -0.936 0.000) 0.936 3.576 ( 0.000 -5.082 0.000) 5.082 3.856 ( 0.000 -1.218 0.000) 1.218 3.927 ( 0.000 1.595 0.000) 1.595 3.929 ( 0.000 5.386 0.000) 5.386 4.053 ( 0.000 5.504 0.000) 5.504 4.114 ( 0.000 3.606 0.000) 3.606 4.129 ( 0.000 6.047 0.000) 6.047 4.136 ( 0.000 6.154 0.000) 6.154 4.176 ( 0.000 2.182 0.000) 2.182 4.273 ( 0.000 7.146 0.000) 7.146 4.280 ( 0.000 2.096 0.000) 2.096 4.285 ( 0.000 6.949 0.000) 6.949 4.436 ( 0.000 -4.225 0.000) 4.225 4.451 ( 0.000 -2.002 0.000) 2.002 4.461 ( 0.000 -5.172 0.000) 5.172 4.478 ( 0.000 -3.845 0.000) 3.845 4.641 ( 0.000 5.342 0.000) 5.342 4.674 ( 0.000 2.506 0.000) 2.506 4.687 ( 0.000 4.488 0.000) 4.488 4.788 ( 0.000 1.630 0.000) 1.630 4.838 ( 0.000 -1.744 0.000) 1.744 4.850 ( 0.000 -4.460 0.000) 4.460 4.886 ( 0.000 1.168 0.000) 1.168 4.971 ( 0.000 0.030 0.000) 0.030 4.992 ( 0.000 -1.740 0.000) 1.740 5.003 ( 0.000 0.476 0.000) 0.476 5.188 ( 0.000 -2.905 0.000) 2.905 5.201 ( 0.000 -1.117 0.000) 1.117 5.222 ( 0.000 -4.510 0.000) 4.510 5.295 ( 0.000 -1.000 0.000) 1.000 5.404 ( 0.000 -1.563 0.000) 1.563 5.415 ( 0.000 -1.841 0.000) 1.841 5.426 ( 0.000 -2.202 0.000) 2.202 5.541 ( 0.000 -1.111 0.000) 1.111 5.572 ( 0.000 -1.357 0.000) 1.357 5.703 ( 0.000 0.497 0.000) 0.497 5.815 ( 0.000 -7.968 0.000) 7.968 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.567 12.243 0.000) 12.343 0.805 ( -0.219 16.624 0.000) 16.625 0.918 ( 2.196 5.243 0.000) 5.684 0.949 ( 0.103 3.331 0.000) 3.332 1.034 ( -0.050 -0.758 0.000) 0.760 1.118 ( 0.101 6.548 0.000) 6.549 1.147 ( 2.151 7.635 0.000) 7.933 1.152 ( -0.881 2.696 0.000) 2.836 1.252 ( -1.538 3.987 0.000) 4.273 1.292 ( -0.842 -1.679 0.000) 1.878 1.362 ( 4.311 5.154 0.000) 6.719 1.412 ( 5.336 11.565 0.000) 12.737 1.426 ( 12.507 0.766 0.000) 12.530 1.500 ( 12.827 20.474 0.000) 24.160 1.600 ( -0.306 -3.954 0.000) 3.966 1.750 ( -0.602 3.417 0.000) 3.470 1.764 ( -0.686 5.668 0.000) 5.710 1.802 ( 3.225 4.640 0.000) 5.651 2.112 ( -1.691 11.180 0.000) 11.307 2.133 ( 0.521 10.012 0.000) 10.026 2.163 ( -0.805 4.127 0.000) 4.205 2.289 ( -1.922 5.803 0.000) 6.113 2.337 ( -1.723 2.968 0.000) 3.432 2.339 ( 3.474 4.157 0.000) 5.418 2.354 ( -2.380 5.145 0.000) 5.669 2.388 ( -0.817 3.914 0.000) 3.998 2.436 ( 0.072 5.740 0.000) 5.740 2.481 ( 0.271 0.052 0.000) 0.276 2.530 ( 1.181 3.722 0.000) 3.905 2.547 ( 2.954 1.421 0.000) 3.278 2.583 ( -0.751 -0.629 0.000) 0.980 2.592 ( 5.134 3.373 0.000) 6.143 2.728 ( 2.923 -5.253 0.000) 6.011 2.742 ( -1.834 -1.699 0.000) 2.500 3.350 ( -14.503 -0.969 0.000) 14.535 3.431 ( -14.103 -4.942 0.000) 14.944 3.877 ( 1.774 0.140 0.000) 1.780 3.913 ( -1.041 4.522 0.000) 4.640 3.934 ( 0.729 1.056 0.000) 1.283 4.038 ( -1.416 5.320 0.000) 5.506 4.107 ( -1.781 5.446 0.000) 5.730 4.109 ( -0.522 3.738 0.000) 3.774 4.130 ( 0.031 6.291 0.000) 6.291 4.168 ( -1.513 2.783 0.000) 3.168 4.296 ( 2.389 6.450 0.000) 6.878 4.301 ( 1.976 2.946 0.000) 3.548 4.310 ( 2.162 4.939 0.000) 5.391 4.416 ( -1.496 -2.810 0.000) 3.184 4.436 ( -1.570 -4.265 0.000) 4.545 4.446 ( -0.969 -1.840 0.000) 2.080 4.501 ( 1.648 -3.019 0.000) 3.439 4.647 ( 0.676 5.020 0.000) 5.065 4.668 ( -1.998 4.334 0.000) 4.772 4.683 ( 0.952 2.618 0.000) 2.786 4.780 ( -0.807 2.474 0.000) 2.602 4.830 ( -0.731 -2.018 0.000) 2.147 4.835 ( -2.163 -2.508 0.000) 3.312 4.862 ( -6.912 -0.148 0.000) 6.913 4.882 ( -0.329 0.953 0.000) 1.008 4.897 ( -3.754 1.246 0.000) 3.955 5.099 ( 2.623 -0.546 0.000) 2.679 5.164 ( -1.850 -2.468 0.000) 3.085 5.215 ( 5.160 -1.994 0.000) 5.531 5.304 ( 0.553 -1.192 0.000) 1.314 5.328 ( 4.298 -3.150 0.000) 5.328 5.438 ( 2.396 -1.671 0.000) 2.921 5.452 ( 4.141 -4.387 0.000) 6.032 5.480 ( 4.855 -2.614 0.000) 5.514 5.563 ( 1.925 -2.799 0.000) 3.397 5.576 ( 0.340 -1.516 0.000) 1.554 5.699 ( -0.289 0.047 0.000) 0.293 5.792 ( -2.228 -7.178 0.000) 7.516 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.580 11.305 0.000) 11.320 0.777 ( -2.452 12.161 0.000) 12.406 0.935 ( 0.041 4.127 0.000) 4.128 0.937 ( -0.494 3.212 0.000) 3.250 1.064 ( 2.209 3.021 0.000) 3.743 1.101 ( -1.573 5.754 0.000) 5.965 1.167 ( 2.678 4.448 0.000) 5.192 1.183 ( 1.615 7.479 0.000) 7.651 1.220 ( -1.682 5.629 0.000) 5.875 1.242 ( -3.781 2.623 0.000) 4.602 1.447 ( 4.222 6.514 0.000) 7.762 1.487 ( 1.428 5.258 0.000) 5.449 1.593 ( -0.404 -2.594 0.000) 2.625 1.602 ( -0.804 2.726 0.000) 2.842 1.641 ( 5.226 5.759 0.000) 7.777 1.721 ( -2.689 4.263 0.000) 5.040 1.875 ( 13.314 14.847 0.000) 19.943 2.046 ( 15.318 3.012 0.000) 15.611 2.047 ( -5.435 12.883 0.000) 13.982 2.148 ( 0.783 7.892 0.000) 7.930 2.183 ( 2.626 5.702 0.000) 6.278 2.263 ( 1.544 4.685 0.000) 4.933 2.280 ( -5.130 2.132 0.000) 5.556 2.329 ( 0.165 8.281 0.000) 8.282 2.357 ( -1.520 5.284 0.000) 5.498 2.385 ( -5.901 -1.151 0.000) 6.012 2.432 ( 4.804 3.668 0.000) 6.044 2.483 ( -0.492 7.167 0.000) 7.184 2.530 ( 0.247 5.292 0.000) 5.298 2.557 ( -1.972 0.487 0.000) 2.031 2.623 ( 4.150 1.347 0.000) 4.363 2.694 ( -3.152 -0.499 0.000) 3.191 2.739 ( 10.223 -1.866 0.000) 10.392 2.829 ( 8.966 -6.414 0.000) 11.024 3.014 ( -18.264 -1.412 0.000) 18.318 3.102 ( -18.228 -5.549 0.000) 19.054 3.899 ( 0.247 3.618 0.000) 3.626 3.900 ( -0.276 4.164 0.000) 4.173 3.962 ( 2.134 0.287 0.000) 2.153 4.004 ( -2.105 3.173 0.000) 3.808 4.088 ( -0.152 4.652 0.000) 4.655 4.096 ( -0.713 3.960 0.000) 4.024 4.130 ( 0.032 5.748 0.000) 5.748 4.138 ( -1.056 4.235 0.000) 4.364 4.340 ( 1.840 3.200 0.000) 3.691 4.344 ( 1.955 4.940 0.000) 5.312 4.356 ( 2.423 2.957 0.000) 3.823 4.388 ( -1.347 -1.055 0.000) 1.711 4.408 ( -1.332 -3.148 0.000) 3.418 4.414 ( -1.973 -1.419 0.000) 2.430 4.544 ( 2.987 -0.199 0.000) 2.993 4.611 ( -3.720 2.994 0.000) 4.776 4.672 ( 2.158 4.224 0.000) 4.743 4.710 ( 1.889 2.840 0.000) 3.411 4.733 ( -4.117 3.281 0.000) 5.265 4.757 ( -3.052 3.258 0.000) 4.464 4.807 ( -0.423 -2.183 0.000) 2.223 4.814 ( -0.823 -1.962 0.000) 2.127 4.872 ( -0.014 -0.361 0.000) 0.362 4.876 ( -0.286 0.314 0.000) 0.425 5.120 ( 0.519 -0.578 0.000) 0.777 5.134 ( -1.136 -1.568 0.000) 1.936 5.295 ( 1.654 -1.792 0.000) 2.439 5.307 ( -0.146 -1.488 0.000) 1.496 5.411 ( 4.836 -2.486 0.000) 5.438 5.464 ( -0.355 -1.808 0.000) 1.842 5.531 ( 3.438 -4.059 0.000) 5.319 5.561 ( 2.421 -4.310 0.000) 4.943 5.579 ( -0.022 -1.942 0.000) 1.942 5.593 ( 0.476 -4.697 0.000) 4.721 5.703 ( 0.979 -1.724 0.000) 1.982 5.740 ( -2.786 -4.923 0.000) 5.656 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 7.897 0.000) 7.897 0.985 ( 0.000 3.186 0.000) 3.186 0.995 ( 0.000 -0.858 0.000) 0.858 1.043 ( 0.000 4.080 0.000) 4.080 1.167 ( 0.000 13.063 0.000) 13.063 1.190 ( 0.000 4.135 0.000) 4.135 1.226 ( 0.000 5.850 0.000) 5.850 1.265 ( 0.000 7.484 0.000) 7.484 1.270 ( 0.000 -1.365 0.000) 1.365 1.274 ( 0.000 -0.738 0.000) 0.738 1.295 ( 0.000 2.746 0.000) 2.746 1.463 ( 0.000 6.302 0.000) 6.302 1.565 ( 0.000 0.984 0.000) 0.984 1.611 ( 0.000 8.923 0.000) 8.923 1.770 ( 0.000 8.423 0.000) 8.423 1.806 ( 0.000 5.123 0.000) 5.123 1.848 ( 0.000 5.060 0.000) 5.060 1.932 ( 0.000 3.123 0.000) 3.123 2.213 ( 0.000 -5.265 0.000) 5.265 2.288 ( 0.000 2.367 0.000) 2.367 2.304 ( 0.000 -4.055 0.000) 4.055 2.314 ( 0.000 3.229 0.000) 3.229 2.369 ( 0.000 -0.258 0.000) 0.258 2.397 ( 0.000 10.731 0.000) 10.731 2.432 ( 0.000 -1.655 0.000) 1.655 2.443 ( 0.000 2.666 0.000) 2.666 2.471 ( 0.000 6.805 0.000) 6.805 2.578 ( 0.000 -1.909 0.000) 1.909 2.609 ( 0.000 7.517 0.000) 7.517 2.609 ( 0.000 9.024 0.000) 9.024 2.674 ( 0.000 6.572 0.000) 6.572 2.690 ( 0.000 12.771 0.000) 12.771 2.705 ( 0.000 -1.124 0.000) 1.124 2.798 ( 0.000 11.321 0.000) 11.321 3.474 ( 0.000 -4.429 0.000) 4.429 3.474 ( 0.000 -1.433 0.000) 1.433 3.870 ( 0.000 2.588 0.000) 2.588 3.983 ( 0.000 3.580 0.000) 3.580 4.014 ( 0.000 2.932 0.000) 2.932 4.101 ( 0.000 0.569 0.000) 0.569 4.170 ( 0.000 1.929 0.000) 1.929 4.211 ( 0.000 1.060 0.000) 1.060 4.213 ( 0.000 1.058 0.000) 1.058 4.269 ( 0.000 5.006 0.000) 5.006 4.305 ( 0.000 -7.384 0.000) 7.384 4.319 ( 0.000 -3.135 0.000) 3.135 4.332 ( 0.000 -3.635 0.000) 3.635 4.392 ( 0.000 0.473 0.000) 0.473 4.407 ( 0.000 -1.936 0.000) 1.936 4.408 ( 0.000 4.930 0.000) 4.930 4.439 ( 0.000 6.208 0.000) 6.208 4.706 ( 0.000 0.874 0.000) 0.874 4.739 ( 0.000 3.726 0.000) 3.726 4.751 ( 0.000 -4.577 0.000) 4.577 4.780 ( 0.000 4.188 0.000) 4.188 4.837 ( 0.000 1.787 0.000) 1.787 4.848 ( 0.000 2.584 0.000) 2.584 4.933 ( 0.000 3.029 0.000) 3.029 4.957 ( 0.000 -0.925 0.000) 0.925 4.964 ( 0.000 -1.028 0.000) 1.028 5.045 ( 0.000 3.074 0.000) 3.074 5.128 ( 0.000 -4.369 0.000) 4.369 5.154 ( 0.000 -0.688 0.000) 0.688 5.189 ( 0.000 0.226 0.000) 0.226 5.261 ( 0.000 -2.385 0.000) 2.385 5.362 ( 0.000 -3.007 0.000) 3.007 5.376 ( 0.000 -1.060 0.000) 1.060 5.378 ( 0.000 -2.166 0.000) 2.166 5.532 ( 0.000 0.194 0.000) 0.194 5.551 ( 0.000 -0.577 0.000) 0.577 5.680 ( 0.000 -4.546 0.000) 4.546 5.711 ( 0.000 0.057 0.000) 0.057 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.682 6.835 0.000) 6.869 0.986 ( -0.817 0.072 0.000) 0.820 1.002 ( 0.867 2.366 0.000) 2.519 1.037 ( -0.958 4.246 0.000) 4.352 1.155 ( -0.194 10.874 0.000) 10.876 1.220 ( 2.456 5.437 0.000) 5.966 1.233 ( -1.222 3.573 0.000) 3.776 1.267 ( -0.084 1.660 0.000) 1.662 1.273 ( 0.453 -0.468 0.000) 0.652 1.311 ( 4.796 6.556 0.000) 8.123 1.444 ( 10.921 4.002 0.000) 11.631 1.495 ( 3.131 5.475 0.000) 6.307 1.567 ( 0.274 1.313 0.000) 1.341 1.656 ( 4.650 8.881 0.000) 10.024 1.782 ( -1.097 4.676 0.000) 4.803 1.843 ( -0.561 4.893 0.000) 4.925 1.859 ( 6.851 4.522 0.000) 8.209 1.929 ( 4.397 5.936 0.000) 7.387 2.206 ( -0.361 -2.333 0.000) 2.361 2.282 ( -0.583 2.838 0.000) 2.897 2.306 ( 0.113 -4.970 0.000) 4.971 2.312 ( -2.114 3.759 0.000) 4.312 2.333 ( -1.435 -2.150 0.000) 2.585 2.416 ( -1.764 4.312 0.000) 4.659 2.435 ( 4.177 9.094 0.000) 10.007 2.490 ( 4.662 0.382 0.000) 4.678 2.505 ( 1.617 6.272 0.000) 6.477 2.573 ( 0.552 2.595 0.000) 2.653 2.616 ( 0.571 6.920 0.000) 6.943 2.630 ( 1.580 2.019 0.000) 2.563 2.666 ( -0.815 5.881 0.000) 5.937 2.679 ( -0.985 11.891 0.000) 11.932 2.708 ( 0.453 1.616 0.000) 1.678 2.792 ( -0.530 10.963 0.000) 10.976 3.322 ( -14.621 -2.487 0.000) 14.831 3.343 ( -13.541 -2.763 0.000) 13.820 3.895 ( 2.591 2.163 0.000) 3.376 3.987 ( 0.284 3.619 0.000) 3.630 3.988 ( -1.551 2.992 0.000) 3.371 4.100 ( -1.343 0.435 0.000) 1.412 4.144 ( -1.690 0.579 0.000) 1.787 4.156 ( -3.018 -0.543 0.000) 3.066 4.219 ( -0.796 1.797 0.000) 1.966 4.262 ( -1.818 2.257 0.000) 2.898 4.315 ( 2.112 -2.413 0.000) 3.207 4.330 ( 0.846 -2.299 0.000) 2.449 4.340 ( 0.293 -2.209 0.000) 2.228 4.396 ( 0.081 0.207 0.000) 0.223 4.423 ( 1.990 1.342 0.000) 2.400 4.441 ( 1.715 3.019 0.000) 3.472 4.463 ( 3.077 4.095 0.000) 5.122 4.705 ( -0.018 0.280 0.000) 0.281 4.728 ( -2.369 -3.138 0.000) 3.932 4.739 ( 0.126 3.259 0.000) 3.261 4.768 ( -1.046 2.820 0.000) 3.008 4.832 ( -1.316 2.376 0.000) 2.716 4.838 ( -0.873 1.231 0.000) 1.509 4.861 ( -4.897 -0.148 0.000) 4.899 4.936 ( 0.387 3.591 0.000) 3.612 4.958 ( -2.700 3.438 0.000) 4.372 5.081 ( 4.269 -0.987 0.000) 4.381 5.134 ( -1.388 -0.584 0.000) 1.506 5.190 ( 2.328 0.104 0.000) 2.330 5.251 ( 6.652 -3.822 0.000) 7.672 5.266 ( 0.183 -2.522 0.000) 2.528 5.374 ( 1.752 -3.314 0.000) 3.748 5.405 ( 2.413 -1.298 0.000) 2.740 5.429 ( 3.933 -2.182 0.000) 4.498 5.535 ( 0.256 -0.208 0.000) 0.330 5.551 ( -0.013 -0.715 0.000) 0.715 5.675 ( -0.432 -3.754 0.000) 3.779 5.701 ( -0.874 -0.004 0.000) 0.874 ======================= Grid point 17 (12/63) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 0.356 6.710 0.000) 6.720 0.965 ( -1.332 3.737 0.000) 3.967 1.009 ( 0.095 2.578 0.000) 2.580 1.015 ( -0.772 4.241 0.000) 4.311 1.166 ( 1.215 6.294 0.000) 6.410 1.198 ( -2.038 3.526 0.000) 4.073 1.257 ( 0.822 4.125 0.000) 4.206 1.265 ( -0.185 2.871 0.000) 2.877 1.304 ( 2.952 3.178 0.000) 4.337 1.350 ( -0.945 5.708 0.000) 5.786 1.562 ( 2.169 4.382 0.000) 4.890 1.565 ( 1.804 4.138 0.000) 4.515 1.589 ( 3.369 2.183 0.000) 4.014 1.684 ( -5.129 3.171 0.000) 6.030 1.763 ( 3.544 5.809 0.000) 6.805 1.820 ( -2.060 4.918 0.000) 5.332 2.086 ( 12.874 3.958 0.000) 13.469 2.144 ( 12.352 5.595 0.000) 13.560 2.228 ( 4.161 -0.478 0.000) 4.188 2.233 ( -4.528 2.835 0.000) 5.342 2.263 ( -2.512 1.466 0.000) 2.909 2.307 ( 0.154 -2.660 0.000) 2.664 2.319 ( -1.252 -0.541 0.000) 1.364 2.360 ( -4.937 2.408 0.000) 5.493 2.525 ( 0.817 9.614 0.000) 9.649 2.530 ( 1.466 9.876 0.000) 9.985 2.563 ( 5.814 9.415 0.000) 11.065 2.619 ( -0.576 6.726 0.000) 6.750 2.634 ( 2.213 3.128 0.000) 3.832 2.648 ( -0.876 5.990 0.000) 6.054 2.678 ( 5.076 4.118 0.000) 6.537 2.698 ( 7.570 -4.665 0.000) 8.892 2.725 ( 1.019 6.202 0.000) 6.285 2.785 ( 0.951 7.983 0.000) 8.040 2.975 ( -19.580 -2.874 0.000) 19.790 3.013 ( -18.930 -2.187 0.000) 19.056 3.962 ( 4.120 1.335 0.000) 4.331 3.975 ( 0.165 3.247 0.000) 3.251 3.985 ( -0.536 3.792 0.000) 3.829 4.042 ( -4.025 0.990 0.000) 4.145 4.118 ( -0.737 -1.564 0.000) 1.729 4.122 ( -0.808 -1.210 0.000) 1.455 4.210 ( 0.212 1.985 0.000) 1.996 4.228 ( -1.503 1.527 0.000) 2.142 4.336 ( 0.199 -1.655 0.000) 1.667 4.339 ( -0.201 -1.587 0.000) 1.600 4.361 ( 2.011 0.278 0.000) 2.030 4.390 ( -0.959 0.231 0.000) 0.986 4.456 ( 1.326 3.659 0.000) 3.892 4.464 ( 0.520 3.936 0.000) 3.970 4.550 ( 5.610 1.208 0.000) 5.739 4.658 ( -5.069 -0.079 0.000) 5.070 4.711 ( 0.727 -0.947 0.000) 1.194 4.737 ( -1.969 -0.903 0.000) 2.166 4.749 ( 1.033 2.322 0.000) 2.542 4.783 ( -2.552 1.373 0.000) 2.898 4.811 ( -0.638 2.315 0.000) 2.401 4.814 ( -1.191 1.953 0.000) 2.288 4.942 ( 0.256 4.843 0.000) 4.850 4.944 ( 0.261 4.564 0.000) 4.572 5.114 ( 0.019 0.007 0.000) 0.021 5.115 ( -0.473 -0.358 0.000) 0.593 5.247 ( 2.071 -2.516 0.000) 3.259 5.265 ( -0.329 -2.592 0.000) 2.613 5.361 ( 5.111 -2.145 0.000) 5.543 5.426 ( -1.010 -1.639 0.000) 1.925 5.441 ( 4.116 -4.106 0.000) 5.814 5.480 ( 0.563 -3.313 0.000) 3.361 5.539 ( 0.210 -0.831 0.000) 0.857 5.546 ( -0.525 -0.950 0.000) 1.085 5.671 ( 0.241 -1.805 0.000) 1.821 5.683 ( -0.898 -0.457 0.000) 1.007 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 -1.745 0.000) 1.745 0.997 ( 0.000 -0.636 0.000) 0.636 1.011 ( 0.000 -0.252 0.000) 0.252 1.071 ( 0.000 -1.108 0.000) 1.108 1.235 ( 0.000 -1.618 0.000) 1.618 1.254 ( 0.000 -0.330 0.000) 0.330 1.307 ( 0.000 0.001 0.000) 0.001 1.325 ( 0.000 1.875 0.000) 1.875 1.356 ( 0.000 10.450 0.000) 10.450 1.378 ( 0.000 5.398 0.000) 5.398 1.441 ( 0.000 7.769 0.000) 7.769 1.601 ( 0.000 7.872 0.000) 7.872 1.646 ( 0.000 6.009 0.000) 6.009 1.723 ( 0.000 2.443 0.000) 2.443 1.823 ( 0.000 -0.780 0.000) 0.780 1.914 ( 0.000 4.548 0.000) 4.548 1.939 ( 0.000 3.206 0.000) 3.206 1.982 ( 0.000 1.760 0.000) 1.760 2.084 ( 0.000 -6.148 0.000) 6.148 2.112 ( 0.000 -9.784 0.000) 9.784 2.242 ( 0.000 -4.722 0.000) 4.722 2.311 ( 0.000 -5.137 0.000) 5.137 2.318 ( 0.000 -0.393 0.000) 0.393 2.404 ( 0.000 -0.813 0.000) 0.813 2.462 ( 0.000 -3.508 0.000) 3.508 2.480 ( 0.000 -1.649 0.000) 1.649 2.674 ( 0.000 4.786 0.000) 4.786 2.700 ( 0.000 12.325 0.000) 12.325 2.752 ( 0.000 6.052 0.000) 6.052 2.761 ( 0.000 11.644 0.000) 11.644 2.805 ( 0.000 5.412 0.000) 5.412 2.855 ( 0.000 10.125 0.000) 10.125 2.986 ( 0.000 13.009 0.000) 13.009 3.050 ( 0.000 12.886 0.000) 12.886 3.398 ( 0.000 -2.769 0.000) 2.769 3.437 ( 0.000 -2.120 0.000) 2.120 3.950 ( 0.000 4.644 0.000) 4.644 4.032 ( 0.000 -2.302 0.000) 2.302 4.045 ( 0.000 -6.238 0.000) 6.238 4.062 ( 0.000 3.490 0.000) 3.490 4.189 ( 0.000 -0.335 0.000) 0.335 4.197 ( 0.000 -0.124 0.000) 0.124 4.198 ( 0.000 -0.010 0.000) 0.010 4.223 ( 0.000 0.602 0.000) 0.602 4.238 ( 0.000 0.045 0.000) 0.045 4.320 ( 0.000 1.089 0.000) 1.089 4.360 ( 0.000 2.068 0.000) 2.068 4.387 ( 0.000 0.366 0.000) 0.366 4.456 ( 0.000 2.961 0.000) 2.961 4.487 ( 0.000 2.632 0.000) 2.632 4.532 ( 0.000 2.560 0.000) 2.560 4.666 ( 0.000 -3.715 0.000) 3.715 4.737 ( 0.000 2.374 0.000) 2.374 4.799 ( 0.000 2.186 0.000) 2.186 4.851 ( 0.000 2.409 0.000) 2.409 4.855 ( 0.000 0.506 0.000) 0.506 4.908 ( 0.000 2.513 0.000) 2.513 4.945 ( 0.000 -0.800 0.000) 0.800 4.947 ( 0.000 -0.062 0.000) 0.062 4.993 ( 0.000 2.326 0.000) 2.326 5.049 ( 0.000 -3.023 0.000) 3.023 5.076 ( 0.000 -0.496 0.000) 0.496 5.145 ( 0.000 -0.336 0.000) 0.336 5.199 ( 0.000 -3.209 0.000) 3.209 5.220 ( 0.000 1.955 0.000) 1.955 5.296 ( 0.000 -3.241 0.000) 3.241 5.344 ( 0.000 -1.102 0.000) 1.102 5.359 ( 0.000 -0.606 0.000) 0.606 5.547 ( 0.000 1.170 0.000) 1.170 5.551 ( 0.000 0.524 0.000) 0.524 5.622 ( 0.000 -1.427 0.000) 1.427 5.701 ( 0.000 -1.028 0.000) 1.028 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.611 -1.225 0.000) 1.369 1.003 ( 0.327 -0.765 0.000) 0.832 1.019 ( 0.620 -0.488 0.000) 0.789 1.069 ( -0.335 -0.837 0.000) 0.902 1.242 ( 0.689 -1.739 0.000) 1.871 1.253 ( -0.405 -0.138 0.000) 0.428 1.292 ( -1.280 0.381 0.000) 1.336 1.319 ( -0.579 1.119 0.000) 1.260 1.380 ( 2.243 9.843 0.000) 10.095 1.441 ( 3.868 5.753 0.000) 6.932 1.573 ( 9.991 6.896 0.000) 12.140 1.610 ( 1.039 6.352 0.000) 6.436 1.653 ( 0.794 6.140 0.000) 6.192 1.774 ( 3.408 2.276 0.000) 4.098 1.813 ( -0.594 0.344 0.000) 0.687 1.932 ( -0.695 3.229 0.000) 3.303 1.947 ( 4.678 3.322 0.000) 5.738 2.004 ( 6.496 2.050 0.000) 6.812 2.106 ( 1.584 -7.125 0.000) 7.299 2.149 ( 3.275 -5.941 0.000) 6.784 2.233 ( -0.959 -5.345 0.000) 5.430 2.275 ( -3.385 -4.842 0.000) 5.908 2.321 ( 0.091 -0.258 0.000) 0.273 2.440 ( 3.988 -1.940 0.000) 4.434 2.442 ( -1.965 -2.165 0.000) 2.923 2.492 ( 1.670 -2.484 0.000) 2.994 2.672 ( 0.173 4.571 0.000) 4.574 2.733 ( -1.341 6.695 0.000) 6.828 2.735 ( 2.823 12.130 0.000) 12.454 2.773 ( 0.701 9.803 0.000) 9.828 2.802 ( -0.038 5.157 0.000) 5.157 2.879 ( 2.032 10.543 0.000) 10.737 2.959 ( -2.514 12.743 0.000) 12.988 3.046 ( -0.723 12.991 0.000) 13.011 3.263 ( -13.644 -2.370 0.000) 13.849 3.304 ( -13.031 -1.698 0.000) 13.141 3.962 ( 1.159 3.803 0.000) 3.976 4.026 ( -0.363 -1.228 0.000) 1.281 4.038 ( -0.702 -5.159 0.000) 5.207 4.062 ( 0.060 2.543 0.000) 2.544 4.128 ( -2.635 -0.107 0.000) 2.638 4.139 ( -3.687 0.958 0.000) 3.809 4.236 ( -0.095 0.803 0.000) 0.809 4.238 ( -0.120 0.992 0.000) 0.999 4.275 ( 3.988 -0.711 0.000) 4.051 4.331 ( 0.867 0.712 0.000) 1.121 4.367 ( 0.426 1.704 0.000) 1.756 4.396 ( 0.653 0.647 0.000) 0.919 4.469 ( 1.316 2.196 0.000) 2.560 4.502 ( 1.301 2.097 0.000) 2.468 4.541 ( 1.091 2.165 0.000) 2.425 4.651 ( -1.451 -3.552 0.000) 3.837 4.725 ( -0.975 1.999 0.000) 2.224 4.794 ( -0.396 2.028 0.000) 2.066 4.827 ( -2.173 1.709 0.000) 2.765 4.852 ( -3.887 0.180 0.000) 3.892 4.859 ( -0.757 0.661 0.000) 1.005 4.889 ( -1.537 2.498 0.000) 2.933 5.000 ( 0.533 0.575 0.000) 0.784 5.003 ( 0.943 2.299 0.000) 2.485 5.064 ( 4.227 -0.697 0.000) 4.284 5.130 ( -1.093 0.010 0.000) 1.093 5.178 ( 5.470 -3.001 0.000) 6.239 5.204 ( 0.260 -3.162 0.000) 3.173 5.220 ( 1.497 1.583 0.000) 2.178 5.309 ( 1.652 -2.909 0.000) 3.345 5.385 ( 2.649 -0.734 0.000) 2.749 5.393 ( 2.914 -1.249 0.000) 3.170 5.545 ( -0.147 1.076 0.000) 1.086 5.549 ( -0.167 0.505 0.000) 0.532 5.629 ( 0.715 -1.127 0.000) 1.335 5.692 ( -0.826 -0.910 0.000) 1.229 ======================= Grid point 22 (15/63) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 0.902 -0.405 0.000) 0.989 1.001 ( -0.511 -0.321 0.000) 0.604 1.035 ( 1.105 -0.525 0.000) 1.224 1.056 ( -0.955 -0.481 0.000) 1.069 1.244 ( -0.242 0.522 0.000) 0.576 1.249 ( -0.464 0.240 0.000) 0.523 1.279 ( 0.674 -1.109 0.000) 1.297 1.302 ( -1.204 -0.401 0.000) 1.269 1.430 ( 2.674 8.325 0.000) 8.743 1.467 ( -0.793 6.291 0.000) 6.341 1.643 ( 2.223 3.403 0.000) 4.065 1.669 ( 0.476 4.408 0.000) 4.433 1.677 ( 1.723 6.113 0.000) 6.351 1.729 ( -3.783 2.528 0.000) 4.550 1.872 ( 2.824 4.231 0.000) 5.087 1.911 ( -1.521 3.551 0.000) 3.863 2.107 ( 7.565 -4.732 0.000) 8.923 2.141 ( 4.134 -4.451 0.000) 6.075 2.195 ( -3.709 -7.307 0.000) 8.195 2.208 ( -2.688 -4.243 0.000) 5.023 2.223 ( 5.241 0.103 0.000) 5.242 2.254 ( 12.425 3.117 0.000) 12.810 2.308 ( -2.134 1.064 0.000) 2.384 2.389 ( -3.766 0.361 0.000) 3.783 2.569 ( 11.169 -3.977 0.000) 11.856 2.601 ( 11.878 -3.483 0.000) 12.378 2.683 ( 0.940 4.481 0.000) 4.579 2.706 ( -1.391 5.464 0.000) 5.638 2.773 ( -0.025 9.367 0.000) 9.367 2.784 ( 0.514 8.320 0.000) 8.336 2.817 ( 0.926 7.048 0.000) 7.109 2.874 ( -9.305 2.295 0.000) 9.584 2.900 ( -3.313 12.060 0.000) 12.506 2.935 ( -16.414 0.799 0.000) 16.433 3.020 ( -1.817 12.986 0.000) 13.113 3.029 ( -8.759 6.258 0.000) 10.765 3.990 ( 1.585 1.357 0.000) 2.087 4.017 ( -1.164 -1.250 0.000) 1.708 4.033 ( 1.015 -1.853 0.000) 2.113 4.062 ( -0.750 -2.372 0.000) 2.488 4.081 ( -1.479 4.597 0.000) 4.830 4.090 ( -1.385 1.366 0.000) 1.946 4.235 ( 0.012 1.874 0.000) 1.874 4.236 ( 0.021 1.724 0.000) 1.724 4.328 ( 1.226 -0.119 0.000) 1.231 4.337 ( -0.133 0.522 0.000) 0.539 4.379 ( 1.193 0.842 0.000) 1.460 4.400 ( -0.524 0.664 0.000) 0.846 4.503 ( 1.894 1.103 0.000) 2.192 4.521 ( 0.239 1.388 0.000) 1.409 4.573 ( 2.084 0.311 0.000) 2.108 4.616 ( -2.196 -2.663 0.000) 3.452 4.716 ( 0.484 1.579 0.000) 1.652 4.755 ( -3.647 1.334 0.000) 3.883 4.791 ( 0.284 1.690 0.000) 1.713 4.808 ( -1.454 1.126 0.000) 1.839 4.853 ( 0.043 1.743 0.000) 1.744 4.863 ( -1.019 2.279 0.000) 2.497 5.015 ( 0.925 1.806 0.000) 2.029 5.021 ( 0.572 2.192 0.000) 2.265 5.115 ( -0.247 0.259 0.000) 0.358 5.116 ( 0.495 -0.034 0.000) 0.496 5.202 ( 0.439 -1.761 0.000) 1.815 5.207 ( 0.003 -2.731 0.000) 2.731 5.327 ( 5.819 -1.094 0.000) 5.921 5.371 ( 4.332 -2.637 0.000) 5.071 5.401 ( -1.485 -0.831 0.000) 1.701 5.425 ( -0.514 -2.044 0.000) 2.108 5.542 ( -0.094 0.906 0.000) 0.910 5.544 ( -0.287 0.681 0.000) 0.739 5.649 ( 1.276 -0.728 0.000) 1.469 5.673 ( -1.184 -0.730 0.000) 1.392 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.000 -0.553 0.000) 0.553 0.947 ( 0.000 -2.750 0.000) 2.750 0.983 ( 0.000 -2.391 0.000) 2.391 1.017 ( 0.000 -3.473 0.000) 3.473 1.199 ( 0.000 -1.556 0.000) 1.556 1.240 ( 0.000 -1.072 0.000) 1.072 1.249 ( 0.000 -3.891 0.000) 3.891 1.289 ( 0.000 -4.004 0.000) 4.004 1.495 ( 0.000 5.142 0.000) 5.142 1.563 ( 0.000 3.441 0.000) 3.441 1.590 ( 0.000 11.207 0.000) 11.207 1.742 ( 0.000 0.072 0.000) 0.072 1.745 ( 0.000 6.012 0.000) 6.012 1.784 ( 0.000 5.688 0.000) 5.688 1.789 ( 0.000 -2.016 0.000) 2.016 1.968 ( 0.000 -0.721 0.000) 0.721 1.974 ( 0.000 -3.032 0.000) 3.032 1.979 ( 0.000 1.243 0.000) 1.243 1.992 ( 0.000 -1.932 0.000) 1.932 2.009 ( 0.000 0.683 0.000) 0.683 2.118 ( 0.000 -6.146 0.000) 6.146 2.170 ( 0.000 -7.640 0.000) 7.640 2.323 ( 0.000 0.820 0.000) 0.820 2.390 ( 0.000 -2.501 0.000) 2.501 2.401 ( 0.000 0.409 0.000) 0.409 2.444 ( 0.000 -1.591 0.000) 1.591 2.785 ( 0.000 5.069 0.000) 5.069 2.862 ( 0.000 4.283 0.000) 4.283 2.878 ( 0.000 1.873 0.000) 1.873 2.905 ( 0.000 3.163 0.000) 3.163 2.938 ( 0.000 9.275 0.000) 9.275 3.032 ( 0.000 5.784 0.000) 5.784 3.197 ( 0.000 7.350 0.000) 7.350 3.267 ( 0.000 6.153 0.000) 6.153 3.360 ( 0.000 -0.932 0.000) 0.932 3.392 ( 0.000 -2.054 0.000) 2.054 3.934 ( 0.000 -3.507 0.000) 3.507 3.950 ( 0.000 -3.824 0.000) 3.824 4.044 ( 0.000 4.057 0.000) 4.057 4.110 ( 0.000 1.128 0.000) 1.128 4.219 ( 0.000 2.827 0.000) 2.827 4.228 ( 0.000 1.919 0.000) 1.919 4.247 ( 0.000 3.719 0.000) 3.719 4.253 ( 0.000 1.877 0.000) 1.877 4.264 ( 0.000 1.268 0.000) 1.268 4.350 ( 0.000 2.454 0.000) 2.454 4.360 ( 0.000 -1.840 0.000) 1.840 4.428 ( 0.000 3.411 0.000) 3.411 4.500 ( 0.000 1.543 0.000) 1.543 4.519 ( 0.000 0.393 0.000) 0.393 4.552 ( 0.000 -0.360 0.000) 0.360 4.580 ( 0.000 -4.950 0.000) 4.950 4.798 ( 0.000 3.019 0.000) 3.019 4.833 ( 0.000 1.097 0.000) 1.097 4.874 ( 0.000 1.362 0.000) 1.362 4.887 ( 0.000 1.557 0.000) 1.557 4.930 ( 0.000 -0.747 0.000) 0.747 4.945 ( 0.000 1.307 0.000) 1.307 4.948 ( 0.000 -0.008 0.000) 0.008 5.010 ( 0.000 -0.798 0.000) 0.798 5.015 ( 0.000 -0.506 0.000) 0.506 5.046 ( 0.000 -1.920 0.000) 1.920 5.138 ( 0.000 -0.303 0.000) 0.303 5.144 ( 0.000 -1.639 0.000) 1.639 5.231 ( 0.000 -0.956 0.000) 0.956 5.234 ( 0.000 -2.449 0.000) 2.449 5.331 ( 0.000 -0.163 0.000) 0.163 5.347 ( 0.000 -0.617 0.000) 0.617 5.568 ( 0.000 1.014 0.000) 1.014 5.579 ( 0.000 1.912 0.000) 1.912 5.603 ( 0.000 -0.649 0.000) 0.649 5.669 ( 0.000 -1.966 0.000) 1.966 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.20 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.162 -0.461 0.000) 1.250 0.953 ( 0.681 -2.694 0.000) 2.778 0.988 ( 0.523 -2.391 0.000) 2.448 1.020 ( 0.174 -3.185 0.000) 3.190 1.200 ( 0.182 -1.880 0.000) 1.889 1.235 ( -0.664 -1.404 0.000) 1.553 1.241 ( -0.662 -3.628 0.000) 3.688 1.281 ( -1.005 -3.720 0.000) 3.854 1.561 ( 4.188 5.588 0.000) 6.983 1.598 ( 0.730 10.342 0.000) 10.367 1.676 ( 7.443 2.111 0.000) 7.736 1.738 ( -0.701 5.975 0.000) 6.016 1.778 ( 1.565 -0.184 0.000) 1.576 1.782 ( 0.035 4.787 0.000) 4.787 1.814 ( 4.721 -1.285 0.000) 4.893 1.963 ( -0.486 -0.750 0.000) 0.894 1.972 ( 0.440 -0.067 0.000) 0.446 2.008 ( 1.803 -0.703 0.000) 1.935 2.041 ( 9.215 1.081 0.000) 9.278 2.082 ( 7.742 -1.497 0.000) 7.885 2.096 ( -2.278 -6.254 0.000) 6.656 2.146 ( -2.244 -6.920 0.000) 7.275 2.329 ( 0.683 1.028 0.000) 1.234 2.393 ( 0.189 -1.923 0.000) 1.932 2.411 ( 1.242 -0.742 0.000) 1.446 2.443 ( 0.151 -2.061 0.000) 2.066 2.777 ( -0.427 4.869 0.000) 4.888 2.846 ( -1.512 4.385 0.000) 4.638 2.868 ( -0.631 1.494 0.000) 1.622 2.899 ( -0.645 2.706 0.000) 2.782 2.971 ( 2.675 9.118 0.000) 9.502 3.053 ( 0.468 5.292 0.000) 5.312 3.178 ( -1.903 7.943 0.000) 8.168 3.230 ( -12.739 -0.656 0.000) 12.756 3.258 ( -0.979 5.945 0.000) 6.025 3.271 ( -10.784 -1.393 0.000) 10.874 3.944 ( 1.076 -2.847 0.000) 3.043 3.960 ( 1.060 -3.185 0.000) 3.357 4.039 ( -0.662 3.314 0.000) 3.380 4.086 ( -2.373 0.728 0.000) 2.482 4.190 ( -1.278 4.474 0.000) 4.653 4.215 ( -1.672 4.728 0.000) 5.014 4.262 ( 1.681 1.361 0.000) 2.163 4.277 ( 0.942 1.863 0.000) 2.088 4.287 ( 2.329 0.962 0.000) 2.520 4.352 ( 0.265 1.697 0.000) 1.718 4.361 ( 0.038 -2.044 0.000) 2.045 4.435 ( 0.121 3.207 0.000) 3.209 4.501 ( 0.158 1.074 0.000) 1.085 4.519 ( 0.017 -0.961 0.000) 0.961 4.553 ( 0.275 -0.690 0.000) 0.742 4.572 ( -0.658 -3.913 0.000) 3.968 4.782 ( -1.337 2.988 0.000) 3.273 4.825 ( -0.646 0.920 0.000) 1.124 4.846 ( -3.139 0.711 0.000) 3.218 4.861 ( -2.465 0.871 0.000) 2.615 4.885 ( -0.177 1.530 0.000) 1.540 4.930 ( -1.285 1.688 0.000) 2.122 4.992 ( 1.399 -1.422 0.000) 1.995 5.018 ( 0.316 -0.988 0.000) 1.037 5.059 ( 4.433 0.440 0.000) 4.454 5.122 ( 5.431 -2.324 0.000) 5.908 5.132 ( -0.503 0.117 0.000) 0.516 5.150 ( 0.515 -1.657 0.000) 1.735 5.229 ( 1.005 -0.608 0.000) 1.175 5.255 ( 2.154 -2.219 0.000) 3.093 5.371 ( 2.892 -0.455 0.000) 2.927 5.377 ( 2.152 -0.519 0.000) 2.214 5.568 ( 0.008 1.162 0.000) 1.162 5.576 ( -0.250 1.873 0.000) 1.889 5.611 ( 0.805 -0.761 0.000) 1.107 5.663 ( -0.572 -1.843 0.000) 1.930 ======================= Grid point 27 (18/63) ======================= q-point: ( 0.40 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 0.745 -2.068 0.000) 2.199 0.970 ( 0.679 -0.802 0.000) 1.051 1.001 ( 0.785 -2.296 0.000) 2.426 1.016 ( -0.623 -2.679 0.000) 2.750 1.208 ( 0.535 -2.542 0.000) 2.598 1.219 ( -0.758 -2.054 0.000) 2.189 1.233 ( 0.216 -2.970 0.000) 2.977 1.254 ( -1.579 -3.215 0.000) 3.582 1.608 ( 1.003 6.675 0.000) 6.749 1.611 ( 0.455 8.392 0.000) 8.404 1.722 ( 0.064 1.971 0.000) 1.972 1.725 ( -0.449 4.700 0.000) 4.722 1.788 ( 0.573 3.365 0.000) 3.414 1.797 ( -0.084 1.946 0.000) 1.947 1.909 ( 3.403 -2.474 0.000) 4.207 1.948 ( -1.184 -1.234 0.000) 1.710 1.989 ( 1.694 -1.576 0.000) 2.313 2.039 ( -3.236 -5.008 0.000) 5.962 2.049 ( 2.462 -3.835 0.000) 4.557 2.098 ( -2.601 -5.772 0.000) 6.331 2.289 ( 8.835 4.311 0.000) 9.831 2.329 ( 11.859 4.085 0.000) 12.543 2.342 ( 0.270 1.957 0.000) 1.976 2.391 ( -0.548 -0.137 0.000) 0.565 2.479 ( 10.862 -4.532 0.000) 11.770 2.517 ( 12.438 -4.448 0.000) 13.209 2.779 ( 0.201 4.278 0.000) 4.282 2.812 ( -1.824 4.436 0.000) 4.797 2.844 ( -13.570 -0.303 0.000) 13.573 2.868 ( -14.967 -0.367 0.000) 14.971 2.880 ( -9.285 -0.185 0.000) 9.286 2.882 ( -0.993 1.867 0.000) 2.115 3.070 ( 2.158 8.977 0.000) 9.233 3.129 ( -3.092 8.936 0.000) 9.456 3.185 ( 1.809 5.114 0.000) 5.424 3.228 ( -2.107 5.785 0.000) 6.156 3.975 ( 2.140 -1.318 0.000) 2.513 3.989 ( 1.882 -1.509 0.000) 2.412 4.016 ( -1.756 1.170 0.000) 2.111 4.033 ( -2.805 -0.125 0.000) 2.808 4.177 ( -0.015 5.365 0.000) 5.365 4.188 ( -1.088 5.390 0.000) 5.498 4.293 ( 1.183 2.837 0.000) 3.074 4.293 ( 0.765 2.156 0.000) 2.287 4.325 ( 1.108 -0.411 0.000) 1.182 4.347 ( -1.006 0.890 0.000) 1.343 4.375 ( 1.995 -1.214 0.000) 2.335 4.418 ( -1.866 1.026 0.000) 2.130 4.508 ( 0.531 -0.130 0.000) 0.547 4.517 ( -0.299 -1.654 0.000) 1.681 4.560 ( 0.323 -1.362 0.000) 1.400 4.564 ( -0.159 -2.058 0.000) 2.065 4.765 ( -0.032 2.803 0.000) 2.803 4.787 ( -2.348 1.906 0.000) 3.025 4.817 ( -0.015 0.687 0.000) 0.687 4.828 ( -1.180 0.618 0.000) 1.332 4.888 ( 0.517 1.953 0.000) 2.020 4.905 ( -1.187 2.029 0.000) 2.351 5.016 ( 0.966 -1.841 0.000) 2.079 5.024 ( 0.119 -1.885 0.000) 1.889 5.116 ( 1.149 0.362 0.000) 1.205 5.124 ( -0.258 0.579 0.000) 0.634 5.161 ( 0.512 -1.573 0.000) 1.654 5.167 ( 0.020 -1.679 0.000) 1.679 5.310 ( 5.885 -0.571 0.000) 5.913 5.328 ( 4.888 -1.529 0.000) 5.121 5.388 ( -1.660 -0.457 0.000) 1.721 5.394 ( -1.171 -0.946 0.000) 1.506 5.569 ( 0.053 1.516 0.000) 1.516 5.571 ( -0.241 1.766 0.000) 1.782 5.631 ( 1.063 -1.113 0.000) 1.539 5.649 ( -0.865 -1.535 0.000) 1.762 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 -1.592 0.000) 1.592 0.931 ( 0.000 1.592 0.000) 1.592 0.953 ( 0.000 -2.157 0.000) 2.157 0.953 ( 0.000 2.157 0.000) 2.157 1.190 ( 0.000 -1.159 0.000) 1.159 1.190 ( 0.000 1.159 0.000) 1.159 1.230 ( 0.000 -0.857 0.000) 0.857 1.230 ( 0.000 0.857 0.000) 0.857 1.575 ( 0.000 -2.064 0.000) 2.064 1.575 ( 0.000 2.064 0.000) 2.064 1.753 ( 0.000 -1.208 0.000) 1.208 1.753 ( 0.000 1.208 0.000) 1.208 1.779 ( 0.000 -5.127 0.000) 5.127 1.779 ( 0.000 5.127 0.000) 5.127 1.893 ( 0.000 -5.705 0.000) 5.705 1.893 ( 0.000 5.705 0.000) 5.705 1.958 ( 0.000 -0.646 0.000) 0.646 1.958 ( 0.000 0.646 0.000) 0.646 2.008 ( 0.000 -0.683 0.000) 0.683 2.008 ( 0.000 0.683 0.000) 0.683 2.057 ( 0.000 -1.414 0.000) 1.414 2.057 ( 0.000 1.414 0.000) 1.414 2.349 ( 0.000 -1.637 0.000) 1.637 2.349 ( 0.000 1.637 0.000) 1.637 2.416 ( 0.000 -1.035 0.000) 1.035 2.416 ( 0.000 1.035 0.000) 1.035 2.868 ( 0.000 -2.524 0.000) 2.524 2.868 ( 0.000 2.524 0.000) 2.524 2.921 ( 0.000 -1.274 0.000) 1.274 2.921 ( 0.000 1.274 0.000) 1.274 3.068 ( 0.000 -2.511 0.000) 2.511 3.068 ( 0.000 2.511 0.000) 2.511 3.299 ( 0.000 -2.298 0.000) 2.298 3.299 ( 0.000 2.298 0.000) 2.298 3.359 ( 0.000 -0.860 0.000) 0.860 3.359 ( 0.000 0.860 0.000) 0.860 3.904 ( 0.000 -0.458 0.000) 0.458 3.904 ( 0.000 0.458 0.000) 0.458 4.106 ( 0.000 -1.648 0.000) 1.648 4.106 ( 0.000 1.648 0.000) 1.648 4.258 ( 0.000 -0.447 0.000) 0.447 4.258 ( 0.000 0.447 0.000) 0.447 4.280 ( 0.000 -0.423 0.000) 0.423 4.280 ( 0.000 0.424 0.000) 0.424 4.301 ( 0.000 -3.191 0.000) 3.191 4.301 ( 0.000 3.191 0.000) 3.191 4.455 ( 0.000 -6.517 0.000) 6.517 4.455 ( 0.000 6.517 0.000) 6.517 4.499 ( 0.000 -2.348 0.000) 2.348 4.499 ( 0.000 2.348 0.000) 2.348 4.530 ( 0.000 -1.400 0.000) 1.400 4.530 ( 0.000 1.400 0.000) 1.400 4.840 ( 0.000 -0.690 0.000) 0.690 4.840 ( 0.000 0.690 0.000) 0.690 4.904 ( 0.000 -1.161 0.000) 1.161 4.904 ( 0.000 1.161 0.000) 1.161 4.932 ( 0.000 -1.677 0.000) 1.677 4.932 ( 0.000 1.677 0.000) 1.677 4.979 ( 0.000 -2.170 0.000) 2.170 4.979 ( 0.000 2.170 0.000) 2.170 5.011 ( 0.000 -0.983 0.000) 0.983 5.011 ( 0.000 0.983 0.000) 0.983 5.133 ( 0.000 -0.134 0.000) 0.134 5.133 ( 0.000 0.134 0.000) 0.134 5.208 ( 0.000 -0.259 0.000) 0.259 5.208 ( 0.000 0.259 0.000) 0.259 5.335 ( 0.000 -0.459 0.000) 0.459 5.335 ( 0.000 0.459 0.000) 0.459 5.588 ( 0.000 -0.857 0.000) 0.857 5.588 ( 0.000 0.857 0.000) 0.857 5.624 ( 0.000 -2.271 0.000) 2.271 5.624 ( 0.000 2.271 0.000) 2.271 ======================= Grid point 32 (20/63) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.679 -1.525 0.000) 1.669 0.937 ( 0.679 1.525 0.000) 1.669 0.963 ( 0.786 -1.838 0.000) 1.999 0.963 ( 0.786 1.838 0.000) 1.999 1.187 ( -0.269 -1.020 0.000) 1.055 1.187 ( -0.269 1.020 0.000) 1.055 1.224 ( -0.750 -1.037 0.000) 1.280 1.224 ( -0.750 1.037 0.000) 1.280 1.658 ( 5.272 -3.287 0.000) 6.213 1.658 ( 5.272 3.287 0.000) 6.213 1.773 ( -0.648 -5.070 0.000) 5.111 1.773 ( -0.648 5.070 0.000) 5.111 1.784 ( 3.073 -0.855 0.000) 3.189 1.784 ( 3.073 0.855 0.000) 3.189 1.881 ( -1.122 -6.096 0.000) 6.199 1.881 ( -1.122 6.097 0.000) 6.199 1.993 ( 1.135 -1.286 0.000) 1.715 1.993 ( 1.135 1.286 0.000) 1.715 2.043 ( -1.274 -1.423 0.000) 1.910 2.043 ( -1.274 1.423 0.000) 1.910 2.060 ( 10.054 -0.896 0.000) 10.094 2.060 ( 10.054 0.896 0.000) 10.094 2.358 ( 0.845 -1.599 0.000) 1.808 2.358 ( 0.845 1.599 0.000) 1.808 2.412 ( -0.441 -0.836 0.000) 0.945 2.412 ( -0.441 0.836 0.000) 0.945 2.857 ( -0.732 -2.461 0.000) 2.568 2.857 ( -0.732 2.461 0.000) 2.568 2.909 ( -1.233 -1.494 0.000) 1.937 2.909 ( -1.233 1.494 0.000) 1.937 3.089 ( -0.188 -1.868 0.000) 1.878 3.089 ( -0.188 1.868 0.000) 1.878 3.241 ( -10.063 -1.469 0.000) 10.169 3.241 ( -10.063 1.469 0.000) 10.169 3.287 ( -1.176 -2.447 0.000) 2.715 3.287 ( -1.176 2.447 0.000) 2.715 3.921 ( 1.810 -0.510 0.000) 1.880 3.921 ( 1.810 0.510 0.000) 1.880 4.087 ( -2.001 -1.071 0.000) 2.269 4.087 ( -2.001 1.071 0.000) 2.269 4.275 ( 1.363 -1.853 0.000) 2.301 4.275 ( 1.363 1.854 0.000) 2.301 4.283 ( 0.128 -1.358 0.000) 1.364 4.283 ( 0.128 1.358 0.000) 1.364 4.302 ( 0.411 -1.892 0.000) 1.936 4.302 ( 0.411 1.893 0.000) 1.937 4.431 ( -1.774 -5.410 0.000) 5.694 4.431 ( -1.774 5.410 0.000) 5.694 4.512 ( 0.731 -2.806 0.000) 2.899 4.512 ( 0.731 2.806 0.000) 2.899 4.527 ( -0.220 -1.501 0.000) 1.517 4.527 ( -0.220 1.502 0.000) 1.518 4.826 ( -1.065 -0.982 0.000) 1.449 4.826 ( -1.065 0.982 0.000) 1.449 4.864 ( -2.611 -0.640 0.000) 2.689 4.864 ( -2.611 0.640 0.000) 2.689 4.939 ( 0.481 -3.311 0.000) 3.345 4.939 ( 0.481 3.311 0.000) 3.345 4.973 ( -0.571 -2.584 0.000) 2.647 4.973 ( -0.571 2.584 0.000) 2.647 5.081 ( 4.907 -1.580 0.000) 5.155 5.081 ( 4.907 1.580 0.000) 5.155 5.134 ( 0.168 -0.225 0.000) 0.280 5.134 ( 0.168 0.225 0.000) 0.280 5.223 ( 2.100 -0.604 0.000) 2.185 5.223 ( 2.100 0.604 0.000) 2.185 5.369 ( 2.434 -0.194 0.000) 2.442 5.369 ( 2.434 0.194 0.000) 2.442 5.592 ( 0.409 -1.090 0.000) 1.165 5.592 ( 0.409 1.090 0.000) 1.165 5.620 ( -0.364 -2.197 0.000) 2.227 5.620 ( -0.364 2.197 0.000) 2.227 ======================= Grid point 34 (21/63) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 1.144 -1.254 0.000) 1.697 0.955 ( 1.144 1.254 0.000) 1.697 0.971 ( -0.222 -1.216 0.000) 1.236 0.971 ( -0.222 1.216 0.000) 1.236 1.187 ( 0.446 -0.852 0.000) 0.962 1.187 ( 0.446 0.852 0.000) 0.962 1.204 ( -1.187 -1.053 0.000) 1.587 1.204 ( -1.187 1.053 0.000) 1.587 1.721 ( 2.158 -3.611 0.000) 4.207 1.721 ( 2.158 3.611 0.000) 4.207 1.754 ( -1.342 -4.747 0.000) 4.933 1.754 ( -1.342 4.747 0.000) 4.933 1.830 ( 1.546 -3.617 0.000) 3.934 1.830 ( 1.546 3.617 0.000) 3.934 1.856 ( -1.377 -5.815 0.000) 5.976 1.856 ( -1.377 5.815 0.000) 5.976 2.002 ( 0.460 -1.242 0.000) 1.325 2.002 ( 0.460 1.242 0.000) 1.325 2.018 ( -1.182 -1.360 0.000) 1.802 2.018 ( -1.182 1.360 0.000) 1.802 2.378 ( 1.096 -1.241 0.000) 1.656 2.378 ( 1.096 1.241 0.000) 1.656 2.383 ( 8.417 -4.599 0.000) 9.591 2.383 ( 8.417 4.599 0.000) 9.591 2.421 ( 13.660 -4.615 0.000) 14.419 2.421 ( 13.660 4.615 0.000) 14.419 2.835 ( -13.892 -0.789 0.000) 13.915 2.835 ( -13.892 0.789 0.000) 13.915 2.866 ( -6.615 -1.298 0.000) 6.741 2.866 ( -6.615 1.298 0.000) 6.741 2.880 ( -1.582 -1.898 0.000) 2.471 2.880 ( -1.582 1.898 0.000) 2.471 3.203 ( 2.752 -3.182 0.000) 4.207 3.203 ( 2.752 3.182 0.000) 4.207 3.254 ( -2.296 -2.825 0.000) 3.640 3.254 ( -2.296 2.825 0.000) 3.640 3.970 ( 3.139 -0.477 0.000) 3.175 3.970 ( 3.139 0.477 0.000) 3.175 4.034 ( -3.347 -0.364 0.000) 3.366 4.034 ( -3.347 0.364 0.000) 3.366 4.282 ( -0.074 -2.850 0.000) 2.851 4.282 ( -0.074 2.850 0.000) 2.851 4.283 ( -0.124 -4.022 0.000) 4.024 4.283 ( -0.124 4.023 0.000) 4.024 4.339 ( 2.945 -1.712 0.000) 3.407 4.339 ( 2.945 1.712 0.000) 3.407 4.393 ( -2.400 -3.155 0.000) 3.964 4.393 ( -2.400 3.155 0.000) 3.964 4.521 ( 0.270 -2.168 0.000) 2.185 4.521 ( 0.270 2.168 0.000) 2.185 4.524 ( -0.101 -1.726 0.000) 1.729 4.524 ( -0.101 1.726 0.000) 1.729 4.812 ( -0.180 -1.305 0.000) 1.317 4.812 ( -0.180 1.305 0.000) 1.317 4.824 ( -1.407 -1.126 0.000) 1.803 4.824 ( -1.407 1.126 0.000) 1.803 4.949 ( 0.578 -3.819 0.000) 3.862 4.949 ( 0.578 3.819 0.000) 3.862 4.961 ( -0.662 -3.394 0.000) 3.458 4.961 ( -0.662 3.394 0.000) 3.458 5.135 ( 0.824 -1.349 0.000) 1.581 5.135 ( 0.824 1.349 0.000) 1.581 5.138 ( 0.147 -0.788 0.000) 0.802 5.138 ( 0.147 0.788 0.000) 0.802 5.307 ( 5.675 -0.403 0.000) 5.690 5.307 ( 5.675 0.403 0.000) 5.690 5.384 ( -1.581 -0.107 0.000) 1.584 5.384 ( -1.581 0.107 0.000) 1.584 5.602 ( 0.522 -1.580 0.000) 1.664 5.602 ( 0.522 1.580 0.000) 1.664 5.611 ( -0.483 -1.981 0.000) 2.039 5.611 ( -0.483 1.981 0.000) 2.039 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 0.000 0.000 14.570) 14.570 0.379 ( 0.000 0.000 18.623) 18.623 0.549 ( 0.000 0.000 26.684) 26.684 0.665 ( 0.000 0.000 -1.480) 1.480 0.755 ( 0.000 0.000 -1.166) 1.166 0.861 ( 0.000 0.000 -0.954) 0.954 0.909 ( 0.000 0.000 -3.619) 3.619 1.000 ( 0.000 0.000 -0.258) 0.258 1.020 ( 0.000 0.000 0.151) 0.151 1.066 ( 0.000 0.000 5.049) 5.049 1.209 ( 0.000 0.000 2.476) 2.476 1.255 ( 0.000 0.000 -1.619) 1.619 1.349 ( 0.000 0.000 -3.592) 3.592 1.465 ( 0.000 0.000 -1.580) 1.580 1.487 ( 0.000 0.000 -13.871) 13.871 1.556 ( 0.000 0.000 2.017) 2.017 1.631 ( 0.000 0.000 -7.388) 7.388 1.649 ( 0.000 0.000 -1.911) 1.911 1.875 ( 0.000 0.000 2.182) 2.182 2.026 ( 0.000 0.000 0.274) 0.274 2.031 ( 0.000 0.000 0.084) 0.084 2.047 ( 0.000 0.000 0.050) 0.050 2.056 ( 0.000 0.000 -0.279) 0.279 2.146 ( 0.000 0.000 -6.555) 6.555 2.323 ( 0.000 0.000 4.297) 4.297 2.326 ( 0.000 0.000 5.207) 5.207 2.465 ( 0.000 0.000 -1.985) 1.985 2.467 ( 0.000 0.000 -0.154) 0.154 2.549 ( 0.000 0.000 1.117) 1.117 2.631 ( 0.000 0.000 5.560) 5.560 2.680 ( 0.000 0.000 0.729) 0.729 2.739 ( 0.000 0.000 -3.885) 3.885 2.806 ( 0.000 0.000 1.421) 1.421 2.886 ( 0.000 0.000 -1.091) 1.091 3.576 ( 0.000 0.000 2.280) 2.280 3.664 ( 0.000 0.000 0.985) 0.985 3.691 ( 0.000 0.000 -2.476) 2.476 3.721 ( 0.000 0.000 -1.213) 1.213 3.783 ( 0.000 0.000 0.617) 0.617 3.817 ( 0.000 0.000 -1.019) 1.019 3.936 ( 0.000 0.000 0.346) 0.346 3.978 ( 0.000 0.000 -1.458) 1.458 3.991 ( 0.000 0.000 1.420) 1.420 4.030 ( 0.000 0.000 1.389) 1.389 4.045 ( 0.000 0.000 -0.959) 0.959 4.098 ( 0.000 0.000 -1.505) 1.505 4.204 ( 0.000 0.000 0.817) 0.817 4.251 ( 0.000 0.000 -1.263) 1.263 4.466 ( 0.000 0.000 1.773) 1.773 4.484 ( 0.000 0.000 -1.053) 1.053 4.511 ( 0.000 0.000 -3.536) 3.536 4.525 ( 0.000 0.000 2.058) 2.058 4.553 ( 0.000 0.000 -2.094) 2.094 4.591 ( 0.000 0.000 -0.665) 0.665 4.798 ( 0.000 0.000 0.941) 0.941 4.832 ( 0.000 0.000 0.236) 0.236 4.901 ( 0.000 0.000 1.747) 1.747 4.934 ( 0.000 0.000 -0.150) 0.150 4.977 ( 0.000 0.000 1.131) 1.131 5.043 ( 0.000 0.000 -1.841) 1.841 5.045 ( 0.000 0.000 6.083) 6.083 5.164 ( 0.000 0.000 1.314) 1.314 5.248 ( 0.000 0.000 0.113) 0.113 5.297 ( 0.000 0.000 -0.726) 0.726 5.317 ( 0.000 0.000 -3.815) 3.815 5.347 ( 0.000 0.000 -1.545) 1.545 5.460 ( 0.000 0.000 0.199) 0.199 5.475 ( 0.000 0.000 -0.354) 0.354 5.614 ( 0.000 0.000 2.173) 2.173 5.686 ( 0.000 0.000 -1.025) 1.025 6.018 ( 0.000 0.000 0.457) 0.457 6.040 ( 0.000 0.000 -0.467) 0.467 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 5.319 0.000 11.721) 12.872 0.498 ( 10.048 0.000 11.822) 15.516 0.734 ( 8.861 0.000 9.338) 12.873 0.774 ( 1.823 0.000 -1.133) 2.146 0.808 ( 7.647 0.000 -0.352) 7.655 0.851 ( -1.228 0.000 -0.622) 1.377 0.899 ( -1.137 0.000 -2.916) 3.130 0.980 ( -0.810 0.000 -2.844) 2.957 1.055 ( 3.663 0.000 0.409) 3.686 1.181 ( 4.364 0.000 1.865) 4.746 1.229 ( 2.203 0.000 2.749) 3.523 1.257 ( 9.447 0.000 3.577) 10.101 1.379 ( 3.014 0.000 -3.620) 4.710 1.517 ( -3.972 0.000 2.347) 4.614 1.527 ( 5.972 0.000 -2.533) 6.487 1.579 ( 10.230 0.000 -9.664) 14.073 1.623 ( -2.678 0.000 -2.140) 3.428 1.641 ( 0.703 0.000 -3.058) 3.138 1.896 ( 2.615 0.000 0.839) 2.746 2.027 ( 0.029 0.000 0.127) 0.131 2.030 ( 0.053 0.000 0.165) 0.174 2.043 ( -0.368 0.000 0.041) 0.370 2.048 ( -3.620 0.000 -1.726) 4.011 2.053 ( -0.305 0.000 -0.274) 0.410 2.265 ( -4.831 0.000 6.973) 8.483 2.343 ( -3.833 0.000 1.760) 4.218 2.438 ( 2.100 0.000 3.185) 3.815 2.492 ( -1.621 0.000 1.147) 1.985 2.506 ( 2.601 0.000 -0.670) 2.686 2.564 ( -4.279 0.000 0.467) 4.304 2.728 ( 1.067 0.000 0.811) 1.341 2.779 ( -2.663 0.000 1.276) 2.952 2.799 ( 4.808 0.000 -4.143) 6.347 2.819 ( -1.040 0.000 -0.428) 1.125 3.421 ( -14.632 0.000 2.528) 14.849 3.548 ( -13.817 0.000 -2.828) 14.103 3.665 ( 0.127 0.000 0.916) 0.924 3.707 ( -1.146 0.000 -0.481) 1.242 3.792 ( 0.695 0.000 -0.165) 0.714 3.816 ( -0.108 0.000 -1.038) 1.044 3.943 ( 0.700 0.000 0.448) 0.831 3.983 ( 0.529 0.000 -1.278) 1.384 3.987 ( -0.385 0.000 1.267) 1.324 4.038 ( -0.688 0.000 -0.942) 1.167 4.160 ( 4.846 0.000 0.262) 4.853 4.223 ( 2.314 0.000 0.057) 2.314 4.255 ( 4.749 0.000 -2.471) 5.354 4.345 ( 11.189 0.000 -7.386) 13.407 4.466 ( -1.208 0.000 -0.856) 1.480 4.470 ( 0.402 0.000 1.828) 1.872 4.500 ( -0.596 0.000 -3.256) 3.310 4.517 ( -0.747 0.000 2.036) 2.168 4.557 ( 0.370 0.000 -1.958) 1.993 4.587 ( -0.358 0.000 -0.829) 0.903 4.732 ( -5.457 0.000 4.554) 7.107 4.820 ( -8.877 0.000 2.322) 9.176 4.829 ( -1.015 0.000 -0.481) 1.123 4.857 ( -4.276 0.000 0.628) 4.322 4.918 ( 1.259 0.000 0.573) 1.383 4.979 ( -0.849 0.000 -0.956) 1.278 5.132 ( 1.695 0.000 3.058) 3.497 5.232 ( 0.041 0.000 -0.867) 0.868 5.248 ( 1.807 0.000 -1.358) 2.261 5.323 ( 0.297 0.000 -2.112) 2.132 5.369 ( 5.304 0.000 -0.392) 5.318 5.442 ( 5.772 0.000 -3.185) 6.592 5.526 ( 5.969 0.000 -0.486) 5.989 5.556 ( 6.924 0.000 -1.821) 7.160 5.629 ( 1.799 0.000 2.909) 3.421 5.719 ( 2.741 0.000 -0.965) 2.906 5.937 ( -5.967 0.000 2.332) 6.407 5.997 ( -4.284 0.000 -0.859) 4.370 ======================= Grid point 67 (24/63) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 8.423 0.000 1.338) 8.528 0.684 ( 8.339 0.000 4.268) 9.367 0.710 ( -9.897 0.000 -1.633) 10.031 0.796 ( -2.816 0.000 -0.378) 2.841 0.826 ( 1.417 0.000 -0.120) 1.422 0.833 ( 3.383 0.000 -3.498) 4.867 0.867 ( -2.066 0.000 -1.595) 2.610 0.917 ( -5.038 0.000 -5.100) 7.169 1.219 ( 6.666 0.000 3.703) 7.625 1.275 ( 3.202 0.000 2.456) 4.035 1.299 ( 5.151 0.000 3.226) 6.078 1.413 ( -6.123 0.000 2.882) 6.768 1.431 ( 6.622 0.000 8.551) 10.816 1.457 ( 4.663 0.000 -3.194) 5.652 1.551 ( -4.673 0.000 -2.701) 5.397 1.554 ( -4.457 0.000 1.847) 4.825 1.733 ( 8.719 0.000 -1.049) 8.782 1.793 ( 4.058 0.000 -4.091) 5.762 2.020 ( 10.931 0.000 -1.080) 10.984 2.028 ( 0.167 0.000 0.078) 0.184 2.033 ( -0.135 0.000 -0.107) 0.172 2.038 ( 0.106 0.000 0.141) 0.176 2.045 ( -0.463 0.000 -0.177) 0.496 2.071 ( 4.421 0.000 -4.482) 6.295 2.207 ( 0.138 0.000 4.767) 4.769 2.277 ( -2.609 0.000 1.596) 3.058 2.370 ( -3.981 0.000 0.866) 4.074 2.457 ( -7.629 0.000 -2.027) 7.894 2.552 ( 4.839 0.000 1.775) 5.154 2.584 ( 3.201 0.000 -0.589) 3.255 2.700 ( -2.795 0.000 3.283) 4.311 2.715 ( -3.527 0.000 1.737) 3.931 2.865 ( 6.974 0.000 -1.973) 7.248 2.944 ( 9.738 0.000 -3.951) 10.509 3.099 ( -15.882 0.000 1.346) 15.939 3.228 ( -17.651 0.000 -3.487) 17.993 3.671 ( 0.511 0.000 0.699) 0.866 3.685 ( -1.020 0.000 0.277) 1.057 3.804 ( 0.538 0.000 -0.871) 1.024 3.812 ( -0.312 0.000 -1.060) 1.105 3.959 ( 0.941 0.000 0.673) 1.157 3.976 ( -0.737 0.000 0.997) 1.240 3.999 ( 1.033 0.000 -1.047) 1.471 4.020 ( -1.123 0.000 -0.930) 1.458 4.231 ( 2.728 0.000 0.176) 2.734 4.258 ( 0.449 0.000 0.127) 0.467 4.332 ( 3.328 0.000 -0.188) 3.333 4.390 ( -2.761 0.000 -1.879) 3.340 4.481 ( 0.810 0.000 1.940) 2.103 4.499 ( -1.019 0.000 2.015) 2.258 4.506 ( 4.083 0.000 -0.117) 4.084 4.545 ( 3.973 0.000 -1.224) 4.157 4.567 ( 0.584 0.000 -1.647) 1.748 4.578 ( -0.580 0.000 -1.223) 1.353 4.632 ( -4.446 0.000 2.657) 5.179 4.670 ( -6.208 0.000 1.233) 6.329 4.806 ( -0.565 0.000 -0.364) 0.672 4.815 ( -1.262 0.000 -0.824) 1.507 4.945 ( 1.338 0.000 0.063) 1.339 4.965 ( -0.794 0.000 -0.232) 0.827 5.160 ( 1.530 0.000 1.097) 1.883 5.194 ( -2.071 0.000 -0.382) 2.106 5.288 ( 1.420 0.000 -2.718) 3.066 5.311 ( -1.055 0.000 -3.050) 3.227 5.478 ( 4.113 0.000 0.818) 4.194 5.507 ( 1.082 0.000 -0.338) 1.134 5.625 ( 3.510 0.000 0.205) 3.516 5.641 ( 1.622 0.000 0.179) 1.632 5.709 ( 5.611 0.000 1.737) 5.873 5.769 ( 1.716 0.000 1.083) 2.029 5.839 ( -3.093 0.000 -0.303) 3.108 5.896 ( -5.754 0.000 -1.287) 5.897 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 11.841 6.287) 13.406 0.453 ( 0.000 12.575 8.258) 15.044 0.718 ( 0.000 6.143 -2.401) 6.596 0.871 ( 0.000 -0.844 -5.799) 5.860 0.911 ( 0.000 18.740 7.628) 20.233 0.939 ( 0.000 12.716 -1.871) 12.853 1.024 ( 0.000 0.309 -0.274) 0.413 1.035 ( 0.000 6.625 0.673) 6.659 1.071 ( 0.000 11.331 5.504) 12.597 1.099 ( 0.000 3.666 -1.543) 3.978 1.132 ( 0.000 -2.964 1.544) 3.342 1.338 ( 0.000 -2.424 -2.454) 3.450 1.353 ( 0.000 3.231 -0.201) 3.238 1.378 ( 0.000 -5.672 -0.945) 5.751 1.567 ( 0.000 10.151 -6.994) 12.327 1.643 ( 0.000 6.263 -4.610) 7.776 1.725 ( 0.000 1.063 0.107) 1.069 1.750 ( 0.000 2.802 -0.532) 2.852 1.889 ( 0.000 7.448 -2.766) 7.945 1.959 ( 0.000 0.389 -0.477) 0.616 2.086 ( 0.000 4.048 -2.115) 4.567 2.087 ( 0.000 5.473 -1.992) 5.824 2.186 ( 0.000 9.271 1.826) 9.449 2.250 ( 0.000 7.569 -1.444) 7.706 2.330 ( 0.000 1.452 4.184) 4.428 2.342 ( 0.000 1.525 5.013) 5.240 2.458 ( 0.000 -3.221 3.746) 4.941 2.465 ( 0.000 0.154 -0.985) 0.997 2.474 ( 0.000 -3.249 3.225) 4.578 2.535 ( 0.000 -1.354 1.474) 2.001 2.566 ( 0.000 -4.482 2.177) 4.983 2.702 ( 0.000 -4.300 2.219) 4.839 2.731 ( 0.000 -2.263 -3.630) 4.278 2.783 ( 0.000 -1.683 -0.549) 1.771 3.544 ( 0.000 -1.551 2.371) 2.833 3.650 ( 0.000 -3.296 -2.192) 3.958 3.811 ( 0.000 6.689 0.950) 6.756 3.870 ( 0.000 7.430 -1.368) 7.555 3.894 ( 0.000 1.660 0.363) 1.699 3.913 ( 0.000 1.552 -0.153) 1.560 3.992 ( 0.000 3.997 0.710) 4.060 4.006 ( 0.000 5.444 -0.034) 5.444 4.039 ( 0.000 5.036 0.674) 5.081 4.125 ( 0.000 2.602 -0.753) 2.709 4.140 ( 0.000 5.480 -0.184) 5.483 4.208 ( 0.000 0.911 0.460) 1.021 4.250 ( 0.000 0.152 -1.110) 1.120 4.305 ( 0.000 13.865 -15.471) 20.774 4.478 ( 0.000 -0.389 -0.798) 0.888 4.484 ( 0.000 -0.129 -0.360) 0.383 4.523 ( 0.000 1.027 2.555) 2.754 4.539 ( 0.000 2.903 -1.077) 3.096 4.591 ( 0.000 2.976 -1.822) 3.489 4.607 ( 0.000 1.956 -1.037) 2.214 4.825 ( 0.000 -1.029 1.414) 1.748 4.831 ( 0.000 1.744 -1.441) 2.263 4.884 ( 0.000 -1.354 0.890) 1.620 4.915 ( 0.000 -2.006 -0.277) 2.025 4.980 ( 0.000 0.237 1.197) 1.220 5.029 ( 0.000 -1.537 -0.977) 1.821 5.032 ( 0.000 -1.092 3.961) 4.108 5.212 ( 0.000 2.979 -3.500) 4.597 5.238 ( 0.000 -0.985 0.830) 1.288 5.252 ( 0.000 -5.095 -2.716) 5.774 5.292 ( 0.000 -0.259 -1.189) 1.217 5.331 ( 0.000 -1.090 -1.956) 2.239 5.450 ( 0.000 -0.861 0.186) 0.881 5.461 ( 0.000 -1.267 -0.280) 1.297 5.594 ( 0.000 -1.758 1.990) 2.655 5.658 ( 0.000 -2.666 -0.671) 2.749 5.855 ( 0.000 -8.332 8.404) 11.835 5.968 ( 0.000 -6.359 -0.687) 6.396 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 7.565 8.164 4.138) 11.874 0.565 ( 4.253 8.251 7.161) 11.724 0.803 ( 2.818 3.870 -1.501) 5.017 0.848 ( -1.033 0.542 -7.005) 7.102 0.917 ( 1.150 12.065 0.339) 12.125 0.968 ( 0.017 10.596 -1.766) 10.742 1.019 ( -0.174 2.246 0.220) 2.263 1.070 ( 3.006 0.991 -1.112) 3.355 1.108 ( -0.201 7.692 1.368) 7.816 1.145 ( 7.711 9.309 3.572) 12.605 1.257 ( 12.434 4.298 5.853) 14.399 1.378 ( 2.153 -1.592 -0.384) 2.705 1.384 ( 3.655 -2.196 1.186) 4.426 1.439 ( 7.108 2.186 -2.915) 7.987 1.513 ( -1.739 7.681 -2.711) 8.329 1.694 ( 0.112 6.404 -2.107) 6.743 1.696 ( 3.842 2.597 -2.115) 5.097 1.730 ( -2.304 -0.262 -0.158) 2.324 1.881 ( -0.526 5.584 -0.574) 5.638 1.950 ( 0.759 3.048 -1.829) 3.635 2.074 ( -1.090 4.437 -0.953) 4.668 2.098 ( 1.613 4.314 -2.070) 5.050 2.180 ( -0.585 9.686 1.556) 9.828 2.227 ( -1.232 8.822 -0.572) 8.926 2.298 ( -2.665 3.058 4.071) 5.747 2.359 ( -3.506 1.758 1.760) 4.299 2.406 ( 1.677 -2.077 3.899) 4.725 2.483 ( -0.337 -0.492 0.893) 1.074 2.504 ( 3.286 0.037 -1.529) 3.624 2.524 ( -2.868 -2.782 -0.647) 4.048 2.651 ( 7.450 -6.083 1.193) 9.692 2.694 ( -0.822 -3.672 2.870) 4.733 2.755 ( -1.360 -2.198 -1.171) 2.838 2.784 ( 3.509 -1.768 -2.468) 4.640 3.396 ( -14.448 -1.552 2.239) 14.703 3.504 ( -14.014 -3.472 -2.426) 14.640 3.801 ( -0.867 7.017 0.562) 7.092 3.839 ( -2.718 6.295 -0.829) 6.906 3.883 ( -0.351 6.199 0.163) 6.212 3.904 ( -0.776 5.156 -0.536) 5.241 4.002 ( 0.548 1.801 0.446) 1.935 4.008 ( 0.272 4.793 0.158) 4.804 4.031 ( -0.403 3.872 0.012) 3.893 4.069 ( -3.012 5.439 -1.332) 6.359 4.191 ( 3.850 3.006 0.575) 4.918 4.238 ( 2.724 1.671 0.583) 3.248 4.269 ( 2.821 0.924 -1.029) 3.141 4.393 ( 4.078 2.773 -7.394) 8.888 4.460 ( -1.376 -0.489 -0.567) 1.566 4.476 ( -0.489 -0.236 -0.808) 0.974 4.517 ( -0.545 0.897 2.259) 2.491 4.546 ( 0.838 3.790 -0.629) 3.932 4.594 ( -0.260 1.717 -1.181) 2.101 4.604 ( 0.299 2.909 -1.575) 3.322 4.766 ( -4.735 1.910 2.294) 5.598 4.828 ( -6.141 0.968 2.233) 6.606 4.835 ( -2.892 0.351 -1.295) 3.188 4.855 ( -5.101 0.247 0.713) 5.157 4.900 ( 1.172 -1.590 0.230) 1.989 4.948 ( -0.876 -2.900 -0.530) 3.076 5.125 ( 1.613 -0.639 2.252) 2.843 5.215 ( -2.211 -2.445 -1.154) 3.493 5.249 ( 4.071 0.339 -0.070) 4.086 5.307 ( 0.797 -1.085 -1.743) 2.202 5.355 ( 4.010 -1.022 -1.134) 4.291 5.415 ( 7.038 -2.481 -3.844) 8.395 5.506 ( 5.084 -1.769 -0.359) 5.395 5.526 ( 5.928 -2.540 -1.165) 6.554 5.608 ( 1.556 -1.814 2.497) 3.456 5.690 ( 2.914 -2.954 -1.274) 4.341 5.822 ( -3.063 -7.017 6.348) 9.946 5.930 ( -3.732 -5.847 -0.939) 7.000 ======================= Grid point 72 (27/63) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 3.483 5.349 0.218) 6.387 0.595 ( -0.160 2.080 2.176) 3.015 0.812 ( 0.056 2.359 -3.774) 4.451 0.819 ( -1.154 2.713 -5.373) 6.129 0.945 ( 0.511 8.088 -0.579) 8.125 0.978 ( 2.458 9.261 -0.788) 9.614 0.985 ( -2.065 9.161 1.924) 9.586 1.050 ( -3.613 9.380 -1.199) 10.123 1.167 ( 5.000 -0.856 3.214) 6.006 1.234 ( -0.935 1.843 0.289) 2.087 1.356 ( 1.501 2.479 2.359) 3.736 1.382 ( -1.006 -0.570 2.298) 2.572 1.514 ( 6.401 5.986 1.691) 8.926 1.548 ( 5.180 4.477 -1.144) 6.941 1.631 ( -3.902 5.015 0.024) 6.354 1.650 ( -4.823 1.561 -0.791) 5.131 1.687 ( 12.010 1.696 1.983) 12.290 1.817 ( -1.841 6.345 -0.127) 6.608 1.959 ( 8.362 1.481 -3.135) 9.052 1.982 ( 1.736 2.367 -3.393) 4.487 2.083 ( 4.857 4.271 1.980) 6.764 2.160 ( 0.029 7.502 1.535) 7.657 2.186 ( 5.877 6.010 -1.219) 8.494 2.215 ( 0.971 8.305 -0.440) 8.373 2.263 ( -0.883 5.288 1.412) 5.544 2.291 ( -3.920 2.399 1.427) 4.812 2.363 ( -3.459 0.223 0.048) 3.466 2.432 ( -7.171 -2.064 -1.825) 7.682 2.534 ( 4.327 -1.135 2.126) 4.953 2.576 ( 2.059 -0.731 -0.626) 2.273 2.662 ( -0.963 -2.865 2.609) 3.993 2.702 ( -3.484 -1.040 0.262) 3.645 2.807 ( 9.493 -3.504 0.227) 10.121 2.907 ( 9.635 -3.220 -3.174) 10.643 3.067 ( -17.188 -2.098 1.755) 17.404 3.182 ( -17.659 -3.788 -2.933) 18.298 3.788 ( -0.254 7.476 0.163) 7.482 3.798 ( -1.376 7.730 -0.143) 7.853 3.882 ( 0.180 6.200 -0.286) 6.209 3.890 ( -0.607 5.880 -0.535) 5.935 4.008 ( 0.250 3.329 0.269) 3.349 4.012 ( -0.125 3.580 0.352) 3.599 4.029 ( 0.189 2.812 -0.454) 2.855 4.036 ( -0.724 2.679 -0.577) 2.835 4.254 ( 2.671 2.218 0.102) 3.473 4.279 ( 0.658 1.993 0.044) 2.100 4.334 ( 3.100 0.517 0.218) 3.150 4.390 ( -2.648 0.171 -1.424) 3.012 4.453 ( 0.864 -1.618 0.771) 1.990 4.477 ( -0.807 -1.563 1.668) 2.424 4.526 ( 2.052 0.696 -0.602) 2.249 4.562 ( -0.879 1.806 -0.268) 2.026 4.591 ( 2.365 2.675 -0.094) 3.572 4.629 ( 2.153 3.192 -1.230) 4.042 4.671 ( -4.809 3.625 1.562) 6.221 4.696 ( -5.291 2.372 0.882) 5.865 4.805 ( -0.761 -0.062 -0.553) 0.943 4.811 ( -1.121 -0.208 -0.989) 1.509 4.924 ( 1.069 -1.998 0.240) 2.279 4.938 ( -0.471 -2.566 0.085) 2.610 5.146 ( 1.119 -1.111 0.935) 1.833 5.174 ( -1.868 -1.791 -0.164) 2.593 5.289 ( 1.036 0.152 -2.239) 2.472 5.304 ( -0.636 -0.439 -2.506) 2.622 5.459 ( 4.340 -1.742 0.565) 4.710 5.489 ( 1.193 -1.589 -0.680) 2.100 5.592 ( 3.274 -3.015 -0.176) 4.454 5.611 ( 1.554 -2.855 -0.845) 3.359 5.670 ( 4.817 -3.204 2.370) 6.252 5.747 ( -0.130 -1.924 1.787) 2.629 5.760 ( -0.046 -6.265 0.126) 6.267 5.841 ( -5.135 -4.677 -1.163) 7.042 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 0.000 19.524 -4.974) 20.147 0.725 ( 0.000 12.441 3.508) 12.927 0.869 ( 0.000 7.750 -1.752) 7.946 0.892 ( 0.000 3.875 -8.079) 8.960 1.022 ( 0.000 2.099 -3.526) 4.103 1.039 ( 0.000 -2.095 -0.730) 2.219 1.116 ( 0.000 5.098 0.340) 5.110 1.134 ( 0.000 5.429 -1.071) 5.534 1.206 ( 0.000 6.205 -3.335) 7.045 1.233 ( 0.000 1.639 -2.506) 2.995 1.346 ( 0.000 5.936 2.652) 6.501 1.370 ( 0.000 10.910 1.263) 10.983 1.460 ( 0.000 2.637 8.053) 8.474 1.473 ( 0.000 15.296 7.703) 17.126 1.638 ( 0.000 1.666 2.518) 3.019 1.682 ( 0.000 2.181 -2.585) 3.382 1.797 ( 0.000 3.389 2.104) 3.989 1.809 ( 0.000 4.873 -3.824) 6.195 2.104 ( 0.000 11.194 -1.378) 11.278 2.124 ( 0.000 10.810 -0.787) 10.839 2.175 ( 0.000 5.693 -0.374) 5.705 2.255 ( 0.000 7.365 -3.621) 8.207 2.327 ( 0.000 5.169 1.730) 5.450 2.360 ( 0.000 0.042 0.395) 0.397 2.395 ( 0.000 3.072 0.135) 3.075 2.423 ( 0.000 6.557 0.907) 6.619 2.435 ( 0.000 1.074 1.797) 2.094 2.457 ( 0.000 -2.235 -0.810) 2.378 2.506 ( 0.000 -0.002 0.297) 0.297 2.507 ( 0.000 6.270 -2.101) 6.613 2.538 ( 0.000 3.480 1.510) 3.794 2.638 ( 0.000 -0.967 2.685) 2.854 2.678 ( 0.000 -1.990 -1.838) 2.709 2.744 ( 0.000 -1.978 -1.624) 2.559 3.510 ( 0.000 -1.673 1.232) 2.077 3.565 ( 0.000 -4.537 -1.103) 4.669 3.867 ( 0.000 -0.870 1.123) 1.421 3.918 ( 0.000 0.954 -1.009) 1.389 3.959 ( 0.000 6.266 2.883) 6.897 4.045 ( 0.000 6.850 -0.863) 6.904 4.104 ( 0.000 3.902 -0.463) 3.930 4.120 ( 0.000 4.760 -0.861) 4.837 4.154 ( 0.000 4.294 1.325) 4.494 4.177 ( 0.000 2.114 0.071) 2.115 4.269 ( 0.000 4.789 -0.318) 4.800 4.278 ( 0.000 5.869 -0.638) 5.903 4.282 ( 0.000 4.812 0.643) 4.855 4.397 ( 0.000 -1.199 -4.355) 4.517 4.447 ( 0.000 -3.192 0.816) 3.295 4.468 ( 0.000 -1.254 -0.013) 1.254 4.515 ( 0.000 -2.642 3.662) 4.516 4.642 ( 0.000 5.464 0.129) 5.466 4.653 ( 0.000 3.026 -2.232) 3.760 4.673 ( 0.000 3.546 -1.296) 3.776 4.796 ( 0.000 -0.101 0.802) 0.808 4.830 ( 0.000 -3.065 -0.706) 3.146 4.853 ( 0.000 -1.814 0.232) 1.828 4.873 ( 0.000 0.668 -0.989) 1.193 4.984 ( 0.000 -0.156 0.999) 1.011 4.995 ( 0.000 -1.365 0.260) 1.389 5.010 ( 0.000 -0.435 0.850) 0.955 5.125 ( 0.000 -4.911 -4.993) 7.003 5.212 ( 0.000 -1.302 1.074) 1.688 5.235 ( 0.000 -1.705 0.435) 1.760 5.292 ( 0.000 0.130 -0.197) 0.236 5.335 ( 0.000 1.042 -3.415) 3.570 5.426 ( 0.000 -2.020 0.018) 2.020 5.428 ( 0.000 -1.238 0.093) 1.241 5.554 ( 0.000 -1.686 1.240) 2.093 5.591 ( 0.000 -3.136 0.295) 3.150 5.748 ( 0.000 -2.798 3.623) 4.577 5.813 ( 0.000 -7.529 -0.235) 7.532 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.518 16.207 -2.330) 16.443 0.775 ( 0.925 11.169 0.814) 11.237 0.893 ( 0.097 4.655 -5.845) 7.473 0.912 ( 1.396 5.813 -1.541) 6.173 1.033 ( 1.037 1.645 -1.047) 2.208 1.050 ( 1.567 1.079 -2.537) 3.171 1.138 ( 2.267 7.125 0.852) 7.525 1.179 ( 1.887 5.602 1.872) 6.200 1.214 ( 2.199 4.794 -2.401) 5.794 1.311 ( 5.304 1.856 -3.220) 6.476 1.378 ( -0.108 5.486 3.428) 6.470 1.425 ( 4.468 8.903 0.601) 9.980 1.471 ( 5.993 2.682 4.526) 7.974 1.545 ( 7.893 9.822 3.872) 13.182 1.629 ( -0.861 3.100 1.375) 3.498 1.710 ( 2.338 2.355 -2.512) 4.162 1.761 ( -2.278 7.691 -0.211) 8.024 1.825 ( 4.622 4.414 1.413) 6.546 2.086 ( -1.326 10.883 -1.273) 11.037 2.124 ( -0.091 10.400 -0.986) 10.447 2.183 ( 0.500 5.736 0.873) 5.824 2.241 ( -1.267 9.222 -3.357) 9.896 2.337 ( 1.444 3.100 0.052) 3.420 2.350 ( -1.100 0.741 1.128) 1.741 2.362 ( -2.236 1.705 -0.227) 2.821 2.409 ( -1.526 4.235 1.568) 4.767 2.435 ( -0.177 4.585 -0.077) 4.589 2.483 ( 0.859 1.288 -0.038) 1.549 2.523 ( 0.979 5.877 -1.283) 6.095 2.536 ( 2.039 2.848 -0.806) 3.594 2.564 ( 3.575 -1.765 1.909) 4.421 2.652 ( 1.872 -0.004 2.971) 3.512 2.693 ( 0.987 -3.163 -2.599) 4.211 2.742 ( 0.515 -2.124 -0.783) 2.322 3.364 ( -14.403 -1.581 1.312) 14.549 3.420 ( -14.123 -4.312 -1.114) 14.809 3.887 ( 1.704 0.357 1.005) 2.011 3.926 ( 0.579 1.838 -0.329) 1.955 3.943 ( -0.923 4.222 2.311) 4.901 4.030 ( -1.469 6.170 -1.007) 6.422 4.096 ( -0.718 4.596 -0.340) 4.664 4.118 ( -0.543 3.984 -0.716) 4.084 4.125 ( -1.478 5.199 0.556) 5.434 4.161 ( -1.974 2.677 -0.747) 3.409 4.282 ( 1.719 4.496 -0.543) 4.844 4.297 ( 2.036 3.932 -0.960) 4.531 4.322 ( 2.979 4.671 1.501) 5.740 4.407 ( 0.328 -1.541 -2.404) 2.874 4.432 ( -1.191 -1.945 1.134) 2.547 4.462 ( -0.674 -1.508 0.278) 1.675 4.511 ( -0.049 -2.009 2.168) 2.956 4.640 ( -1.618 2.828 -2.611) 4.175 4.649 ( 0.669 4.952 0.113) 4.998 4.674 ( 0.601 3.253 -0.902) 3.428 4.788 ( -0.789 1.489 0.730) 1.837 4.820 ( -0.986 -2.261 -0.792) 2.591 4.841 ( -2.108 -1.050 0.424) 2.393 4.861 ( -4.255 -0.656 -0.437) 4.327 4.879 ( -2.432 0.838 0.504) 2.621 4.904 ( -3.273 1.027 0.105) 3.432 5.107 ( 2.530 -1.101 0.752) 2.860 5.150 ( -0.084 -2.809 -1.222) 3.064 5.234 ( 4.039 -1.794 1.661) 4.722 5.292 ( 0.830 -0.918 -1.075) 1.639 5.324 ( 4.053 -2.227 -0.386) 4.641 5.372 ( 4.631 -0.594 -4.124) 6.229 5.459 ( 3.145 -2.597 0.184) 4.083 5.472 ( 3.747 -2.352 -0.595) 4.464 5.566 ( 1.206 -1.901 1.355) 2.628 5.606 ( 1.436 -4.047 0.469) 4.319 5.731 ( -1.528 -2.275 2.818) 3.931 5.790 ( -2.323 -6.717 -0.348) 7.116 ======================= Grid point 77 (30/63) ======================= q-point: ( 0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 0.027 11.469 -0.111) 11.469 0.763 ( -1.154 11.830 -0.898) 11.920 0.896 ( 0.612 5.458 -2.819) 6.174 0.911 ( -0.714 5.935 -1.884) 6.268 1.058 ( 1.683 3.715 -0.362) 4.094 1.077 ( 0.360 3.257 -1.251) 3.508 1.181 ( 1.385 6.866 0.300) 7.011 1.202 ( -0.208 4.660 0.283) 4.674 1.235 ( 2.406 5.319 3.684) 6.904 1.311 ( -4.432 3.039 5.296) 7.545 1.407 ( 4.304 4.202 -3.630) 7.025 1.465 ( -0.809 5.076 -2.376) 5.663 1.604 ( 1.118 2.103 0.583) 2.452 1.607 ( -0.917 4.491 0.011) 4.584 1.632 ( 4.065 2.625 -0.047) 4.840 1.703 ( -2.330 3.052 -1.809) 4.245 1.907 ( 12.083 13.576 3.290) 18.470 2.029 ( 8.194 8.004 -1.518) 11.554 2.056 ( 1.324 8.693 0.623) 8.815 2.123 ( 0.236 8.744 -2.239) 9.029 2.202 ( 2.318 5.410 1.459) 6.064 2.241 ( 2.325 4.888 -0.897) 5.487 2.301 ( -3.284 0.291 1.312) 3.548 2.338 ( -0.194 2.584 -0.410) 2.623 2.365 ( -1.297 5.213 0.115) 5.373 2.382 ( -5.353 5.163 1.312) 7.552 2.410 ( 3.283 5.389 -1.657) 6.524 2.472 ( -2.124 6.252 -1.593) 6.793 2.546 ( 1.572 3.645 1.540) 4.258 2.566 ( 0.155 1.076 0.847) 1.378 2.626 ( 2.951 0.272 0.329) 2.981 2.678 ( -2.107 -0.957 -1.533) 2.776 2.754 ( 9.494 -1.625 1.619) 9.767 2.821 ( 8.614 -4.797 -1.009) 9.911 3.029 ( -18.272 -1.717 1.460) 18.410 3.091 ( -18.178 -4.570 -1.165) 18.780 3.910 ( 0.517 3.631 1.168) 3.849 3.918 ( -0.599 4.783 1.711) 5.115 3.960 ( 1.889 0.699 -0.275) 2.033 3.997 ( -1.901 3.735 -0.910) 4.289 4.086 ( -0.020 4.312 -0.036) 4.313 4.097 ( -0.964 3.592 0.113) 3.721 4.118 ( 0.011 5.128 -1.105) 5.246 4.127 ( -1.134 3.882 -1.039) 4.176 4.323 ( 2.116 3.591 -0.541) 4.203 4.338 ( 1.465 3.211 -1.044) 3.681 4.367 ( 1.202 2.398 0.948) 2.845 4.396 ( -1.341 -0.768 -0.764) 1.724 4.415 ( 0.286 -0.828 2.062) 2.241 4.442 ( -1.509 -1.637 2.207) 3.135 4.532 ( 2.415 -0.268 -0.906) 2.594 4.590 ( -3.197 1.426 -2.152) 4.109 4.676 ( 2.132 4.024 0.343) 4.567 4.696 ( 1.431 3.216 -0.866) 3.625 4.748 ( -3.511 2.911 0.994) 4.668 4.759 ( -3.362 3.243 0.183) 4.675 4.803 ( -0.615 -0.413 -0.300) 0.799 4.807 ( -0.663 -0.440 -0.574) 0.981 4.878 ( 0.326 -1.184 0.542) 1.342 4.883 ( -0.252 -0.779 0.495) 0.957 5.124 ( 0.341 -0.777 0.433) 0.953 5.134 ( -0.832 -1.558 0.015) 1.766 5.288 ( 0.850 -0.667 -0.613) 1.242 5.295 ( -0.143 -0.561 -1.031) 1.183 5.413 ( 4.846 -2.413 0.281) 5.421 5.450 ( 1.470 -1.820 -1.338) 2.695 5.516 ( 2.288 -4.014 -0.690) 4.671 5.531 ( 1.402 -4.080 -1.615) 4.607 5.600 ( 2.260 -3.267 1.901) 4.404 5.628 ( 0.130 -5.430 1.301) 5.586 5.708 ( -0.201 -1.692 0.669) 1.831 5.737 ( -2.746 -4.481 -0.385) 5.270 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 6.786 1.185) 6.889 0.983 ( 0.000 3.652 -0.109) 3.654 0.988 ( 0.000 0.943 -0.881) 1.290 1.014 ( 0.000 5.464 -2.662) 6.078 1.107 ( 0.000 7.144 -2.850) 7.691 1.143 ( 0.000 14.109 -2.468) 14.323 1.236 ( 0.000 5.887 0.945) 5.963 1.244 ( 0.000 2.496 -0.453) 2.536 1.270 ( 0.000 6.014 -0.115) 6.015 1.275 ( 0.000 3.444 -1.633) 3.812 1.436 ( 0.000 -3.100 9.132) 9.644 1.487 ( 0.000 4.553 2.018) 4.980 1.568 ( 0.000 2.485 1.316) 2.812 1.599 ( 0.000 7.841 -0.989) 7.903 1.771 ( 0.000 5.588 -3.035) 6.359 1.785 ( 0.000 4.662 -0.126) 4.664 1.865 ( 0.000 3.475 1.249) 3.692 1.898 ( 0.000 3.303 -2.449) 4.112 2.212 ( 0.000 -3.921 0.153) 3.924 2.271 ( 0.000 -2.646 -2.398) 3.570 2.305 ( 0.000 1.542 1.581) 2.209 2.330 ( 0.000 -0.452 0.630) 0.775 2.367 ( 0.000 5.148 0.297) 5.157 2.408 ( 0.000 0.721 -1.614) 1.768 2.427 ( 0.000 7.147 2.603) 7.606 2.463 ( 0.000 1.184 1.061) 1.590 2.486 ( 0.000 6.383 1.254) 6.505 2.580 ( 0.000 7.819 -2.709) 8.275 2.581 ( 0.000 0.742 0.383) 0.835 2.604 ( 0.000 9.634 -0.667) 9.657 2.672 ( 0.000 6.177 -0.245) 6.182 2.673 ( 0.000 5.145 -0.721) 5.195 2.736 ( 0.000 6.679 2.029) 6.980 2.790 ( 0.000 10.597 -0.765) 10.624 3.473 ( 0.000 -4.028 -0.095) 4.029 3.473 ( 0.000 -1.942 -0.118) 1.945 3.884 ( 0.000 2.550 1.412) 2.914 3.960 ( 0.000 3.028 -2.060) 3.662 4.052 ( 0.000 2.349 3.772) 4.443 4.116 ( 0.000 0.834 1.188) 1.452 4.162 ( 0.000 2.281 -0.803) 2.419 4.202 ( 0.000 1.178 -1.293) 1.749 4.209 ( 0.000 0.997 -0.197) 1.016 4.243 ( 0.000 4.413 -2.322) 4.987 4.294 ( 0.000 -5.714 -0.705) 5.758 4.313 ( 0.000 -3.740 -1.040) 3.882 4.340 ( 0.000 -2.084 0.854) 2.252 4.389 ( 0.000 -0.427 -1.341) 1.407 4.392 ( 0.000 2.280 1.468) 2.712 4.446 ( 0.000 2.669 -0.152) 2.673 4.465 ( 0.000 1.109 4.746) 4.874 4.696 ( 0.000 0.718 -2.670) 2.765 4.720 ( 0.000 -0.462 -2.117) 2.167 4.736 ( 0.000 3.458 -0.304) 3.471 4.784 ( 0.000 1.886 1.169) 2.219 4.840 ( 0.000 2.705 -0.214) 2.713 4.859 ( 0.000 1.311 0.935) 1.610 4.896 ( 0.000 0.650 -2.157) 2.253 4.974 ( 0.000 -0.426 1.001) 1.088 4.978 ( 0.000 0.771 1.102) 1.345 5.033 ( 0.000 2.038 -1.136) 2.333 5.061 ( 0.000 -1.591 -3.747) 4.070 5.192 ( 0.000 -1.948 1.313) 2.349 5.193 ( 0.000 -0.397 0.378) 0.548 5.285 ( 0.000 -1.102 2.051) 2.329 5.341 ( 0.000 -0.587 -1.229) 1.362 5.381 ( 0.000 -2.119 0.323) 2.143 5.391 ( 0.000 -2.209 0.539) 2.274 5.535 ( 0.000 -0.001 0.348) 0.348 5.550 ( 0.000 -0.715 -0.180) 0.737 5.687 ( 0.000 -4.345 0.698) 4.400 5.710 ( 0.000 -1.232 -0.140) 1.239 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.509 5.865 0.877) 5.952 0.979 ( -0.546 1.535 -0.592) 1.733 0.995 ( 0.422 4.529 -0.451) 4.571 1.030 ( 0.500 4.067 -1.216) 4.275 1.121 ( 1.754 7.774 -2.413) 8.326 1.151 ( 0.720 10.322 -1.772) 10.497 1.252 ( 0.316 3.536 0.076) 3.551 1.256 ( 0.779 1.795 -0.370) 1.992 1.309 ( 4.568 6.552 1.172) 8.072 1.380 ( 3.486 4.877 0.446) 6.011 1.443 ( 2.732 -0.144 4.794) 5.519 1.535 ( 5.560 4.638 3.176) 7.907 1.565 ( 0.235 2.073 0.004) 2.086 1.644 ( 4.728 7.393 -1.239) 8.863 1.763 ( -2.413 3.710 -2.235) 4.958 1.794 ( 1.335 4.638 -3.282) 5.836 1.895 ( 4.761 4.035 1.932) 6.533 1.928 ( 5.832 4.979 0.002) 7.668 2.203 ( -0.449 -1.685 0.066) 1.745 2.266 ( -0.520 -1.995 -2.727) 3.419 2.296 ( -0.892 1.285 1.102) 1.914 2.323 ( -2.119 0.601 -0.038) 2.203 2.349 ( -1.582 -1.273 1.657) 2.621 2.414 ( -0.728 4.897 -0.311) 4.960 2.438 ( 3.184 5.519 -0.175) 6.374 2.466 ( 2.037 6.773 -0.356) 7.082 2.538 ( 3.112 4.086 1.589) 5.377 2.576 ( 0.926 4.702 -0.143) 4.794 2.606 ( 1.684 4.900 -0.236) 5.187 2.630 ( 2.211 4.698 -0.202) 5.196 2.659 ( -0.956 5.824 -0.322) 5.911 2.671 ( -0.337 7.552 -0.537) 7.579 2.734 ( -0.194 5.508 1.880) 5.823 2.785 ( -0.494 10.074 -0.743) 10.114 3.324 ( -14.367 -2.654 0.266) 14.612 3.339 ( -13.592 -2.877 -0.369) 13.898 3.908 ( 2.383 2.147 1.218) 3.431 3.969 ( 0.826 2.893 -1.582) 3.399 4.022 ( -1.909 2.818 3.416) 4.822 4.113 ( -1.670 1.346 1.133) 2.426 4.136 ( -1.353 0.226 -0.836) 1.607 4.156 ( -2.928 0.028 0.003) 2.928 4.200 ( -1.277 0.828 -1.679) 2.266 4.236 ( -1.474 3.274 -2.607) 4.437 4.308 ( 2.018 -3.039 -0.244) 3.656 4.326 ( 0.925 -2.674 -0.595) 2.892 4.351 ( 0.620 -1.264 1.048) 1.755 4.396 ( 0.416 0.001 -0.751) 0.859 4.422 ( 2.313 2.100 0.885) 3.247 4.458 ( 1.152 2.858 0.152) 3.085 4.478 ( 1.556 1.391 2.841) 3.525 4.670 ( -2.654 -0.458 -4.621) 5.348 4.714 ( -0.007 1.025 0.233) 1.052 4.738 ( 0.145 2.616 -0.298) 2.637 4.783 ( -0.119 1.257 1.616) 2.051 4.839 ( -1.849 0.937 0.607) 2.160 4.843 ( -0.817 1.573 0.251) 1.790 4.864 ( -2.291 1.403 -0.722) 2.781 4.917 ( -1.776 2.328 -0.303) 2.944 4.958 ( -2.038 3.586 -0.654) 4.176 5.083 ( 4.042 -0.947 0.339) 4.165 5.121 ( 0.993 -0.098 -1.241) 1.592 5.199 ( 2.144 -1.122 0.913) 2.586 5.236 ( 4.004 -3.285 -0.803) 5.241 5.297 ( 1.439 -1.340 2.143) 2.909 5.359 ( 1.752 -1.391 -1.211) 2.544 5.410 ( 2.353 -1.793 0.353) 2.980 5.426 ( 3.121 -2.003 -0.305) 3.720 5.539 ( 0.358 -0.423 0.425) 0.698 5.553 ( 0.245 -1.031 0.001) 1.060 5.680 ( -0.616 -3.627 0.523) 3.716 5.700 ( -0.973 -1.053 -0.207) 1.449 ======================= Grid point 82 (33/63) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 0.038 6.257 0.391) 6.269 0.963 ( -0.999 4.683 -0.198) 4.792 1.005 ( 0.814 4.023 0.084) 4.105 1.023 ( -0.929 3.858 0.226) 3.975 1.160 ( 1.413 6.141 -0.934) 6.371 1.166 ( 0.618 5.964 -1.270) 6.129 1.262 ( 0.477 2.665 0.144) 2.711 1.265 ( 0.159 1.981 -0.122) 1.992 1.349 ( 1.165 4.791 2.859) 5.700 1.382 ( -1.555 4.576 3.355) 5.884 1.502 ( 2.807 4.191 -3.245) 5.998 1.546 ( -1.481 3.711 -2.052) 4.492 1.647 ( 3.094 2.875 3.420) 5.435 1.695 ( -2.461 3.570 1.171) 4.492 1.744 ( 3.293 5.464 -1.864) 6.647 1.792 ( -1.458 4.767 -2.660) 5.650 2.098 ( 12.313 3.696 1.075) 12.901 2.135 ( 11.138 4.603 -0.734) 12.074 2.214 ( 1.681 1.836 -0.551) 2.549 2.249 ( -0.480 1.181 -0.177) 1.287 2.264 ( -2.710 1.012 -0.330) 2.912 2.284 ( 0.309 -2.073 -0.521) 2.160 2.314 ( -2.980 0.168 0.069) 2.986 2.364 ( -4.675 1.483 -0.423) 4.922 2.514 ( 2.628 9.985 -0.324) 10.330 2.527 ( 2.921 9.379 -0.590) 9.841 2.579 ( 2.581 8.248 1.254) 8.733 2.611 ( 0.482 6.559 -0.596) 6.603 2.640 ( 0.641 4.772 0.418) 4.833 2.648 ( -0.120 6.832 0.088) 6.834 2.687 ( 5.575 3.311 0.785) 6.531 2.702 ( 5.743 1.521 0.148) 5.943 2.740 ( 1.990 2.275 1.425) 3.342 2.780 ( 1.354 6.606 -0.499) 6.762 2.984 ( -19.110 -2.958 0.849) 19.356 3.011 ( -18.660 -2.542 -0.261) 18.834 3.965 ( 2.981 1.298 0.512) 3.291 3.982 ( 0.333 2.620 -0.230) 2.651 4.002 ( 0.224 3.535 2.431) 4.296 4.053 ( -3.802 2.253 0.771) 4.486 4.115 ( -0.725 -1.561 -0.214) 1.734 4.120 ( -0.950 -1.122 -0.172) 1.480 4.187 ( 0.120 1.365 -2.022) 2.442 4.204 ( -1.487 1.677 -2.264) 3.186 4.340 ( 0.624 -1.904 0.293) 2.025 4.346 ( 0.548 -1.450 0.237) 1.568 4.361 ( 1.347 0.154 0.451) 1.429 4.391 ( -1.119 0.328 -0.225) 1.188 4.460 ( 1.530 3.074 0.687) 3.502 4.474 ( 0.162 3.170 0.955) 3.314 4.532 ( 3.841 0.898 -1.393) 4.183 4.607 ( -3.760 -0.149 -3.957) 5.461 4.724 ( 1.169 0.552 0.962) 1.612 4.744 ( 0.201 1.132 0.161) 1.161 4.771 ( -1.054 0.614 1.713) 2.103 4.790 ( -2.360 1.236 0.553) 2.721 4.819 ( -0.283 2.171 0.763) 2.319 4.834 ( -1.493 2.432 2.028) 3.501 4.914 ( 1.064 3.567 -2.108) 4.278 4.936 ( -0.988 4.148 -1.422) 4.495 5.115 ( 0.348 -0.121 0.336) 0.499 5.122 ( -0.332 0.289 0.299) 0.532 5.252 ( 1.831 -2.444 0.560) 3.104 5.268 ( -0.105 -2.286 0.109) 2.291 5.368 ( 4.839 -1.832 0.836) 5.241 5.420 ( 2.886 -1.622 -1.188) 3.518 5.434 ( 0.270 -2.984 0.077) 2.997 5.466 ( 0.159 -2.422 -1.206) 2.710 5.547 ( 0.398 -1.346 0.629) 1.538 5.554 ( -0.249 -1.642 0.471) 1.726 5.671 ( -0.025 -1.941 0.078) 1.943 5.680 ( -0.880 -0.985 -0.261) 1.347 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 -1.744 -0.044) 1.745 0.985 ( 0.000 -1.208 -1.036) 1.591 1.024 ( 0.000 -0.108 1.188) 1.193 1.067 ( 0.000 0.006 -0.557) 0.557 1.245 ( 0.000 1.007 1.289) 1.636 1.285 ( 0.000 0.107 2.203) 2.206 1.296 ( 0.000 0.815 -1.064) 1.340 1.330 ( 0.000 0.987 0.257) 1.020 1.391 ( 0.000 6.008 1.228) 6.132 1.403 ( 0.000 7.166 4.529) 8.477 1.438 ( 0.000 6.521 0.001) 6.521 1.591 ( 0.000 8.047 -2.038) 8.301 1.649 ( 0.000 3.877 0.905) 3.981 1.695 ( 0.000 2.065 -2.315) 3.102 1.819 ( 0.000 0.105 -0.531) 0.541 1.884 ( 0.000 4.668 -2.903) 5.497 1.934 ( 0.000 2.824 -0.335) 2.844 1.947 ( 0.000 1.856 -2.312) 2.965 2.087 ( 0.000 -6.308 0.239) 6.312 2.106 ( 0.000 -8.925 -0.608) 8.945 2.276 ( 0.000 -3.130 2.801) 4.200 2.319 ( 0.000 -1.611 0.165) 1.620 2.342 ( 0.000 -2.726 2.339) 3.592 2.395 ( 0.000 -1.518 -0.813) 1.722 2.468 ( 0.000 -2.102 0.422) 2.144 2.477 ( 0.000 -1.246 -0.226) 1.267 2.689 ( 0.000 4.180 1.529) 4.451 2.718 ( 0.000 11.585 1.572) 11.691 2.754 ( 0.000 7.024 0.203) 7.027 2.759 ( 0.000 10.435 -0.293) 10.439 2.795 ( 0.000 5.213 -0.779) 5.271 2.837 ( 0.000 9.967 -1.801) 10.128 2.996 ( 0.000 12.353 0.967) 12.391 3.040 ( 0.000 12.219 -1.003) 12.260 3.405 ( 0.000 -2.277 0.697) 2.381 3.433 ( 0.000 -1.678 -0.418) 1.729 3.961 ( 0.000 4.278 1.023) 4.399 4.017 ( 0.000 -0.153 -1.864) 1.870 4.045 ( 0.000 -3.344 1.231) 3.563 4.075 ( 0.000 -2.452 0.367) 2.479 4.183 ( 0.000 -0.383 0.090) 0.394 4.198 ( 0.000 0.187 -0.007) 0.187 4.206 ( 0.000 -0.045 0.064) 0.078 4.218 ( 0.000 0.446 -0.675) 0.809 4.242 ( 0.000 1.406 0.992) 1.720 4.326 ( 0.000 0.639 0.510) 0.817 4.332 ( 0.000 2.338 -2.688) 3.562 4.368 ( 0.000 0.222 -1.684) 1.698 4.464 ( 0.000 2.911 1.002) 3.079 4.507 ( 0.000 1.729 2.158) 2.766 4.516 ( 0.000 2.485 -1.353) 2.829 4.654 ( 0.000 -3.178 -2.578) 4.092 4.748 ( 0.000 2.302 1.253) 2.621 4.791 ( 0.000 1.927 -0.672) 2.041 4.842 ( 0.000 2.335 -1.120) 2.589 4.867 ( 0.000 0.225 0.780) 0.811 4.874 ( 0.000 0.292 -0.107) 0.311 4.907 ( 0.000 0.905 -2.843) 2.984 4.985 ( 0.000 1.025 2.251) 2.473 5.013 ( 0.000 1.643 1.108) 1.982 5.044 ( 0.000 -0.362 -0.480) 0.601 5.060 ( 0.000 0.193 -1.422) 1.435 5.157 ( 0.000 -1.377 0.961) 1.679 5.192 ( 0.000 -0.450 -0.821) 0.937 5.249 ( 0.000 -1.735 2.633) 3.153 5.302 ( 0.000 -3.109 0.269) 3.121 5.348 ( 0.000 -0.979 0.393) 1.055 5.359 ( 0.000 -0.792 -0.086) 0.796 5.551 ( 0.000 1.262 0.326) 1.303 5.552 ( 0.000 0.683 0.125) 0.694 5.628 ( 0.000 -1.619 0.749) 1.784 5.686 ( 0.000 -1.234 -1.473) 1.921 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 0.762 -1.371 0.051) 1.570 0.992 ( 0.599 -1.159 -0.909) 1.590 1.030 ( 0.383 -0.391 1.049) 1.183 1.066 ( -0.329 -0.361 -0.390) 0.625 1.247 ( 0.145 1.063 0.935) 1.423 1.272 ( -1.000 0.190 0.890) 1.352 1.294 ( -0.425 -0.056 0.131) 0.448 1.316 ( -1.073 0.753 -0.194) 1.325 1.420 ( 1.849 7.532 3.912) 8.687 1.464 ( 3.956 5.277 2.621) 7.097 1.547 ( 6.644 7.530 -2.102) 10.260 1.622 ( 4.127 5.946 -1.483) 7.389 1.649 ( 0.693 4.039 1.308) 4.302 1.749 ( 5.382 2.911 -2.584) 6.642 1.798 ( -1.898 1.029 -0.427) 2.201 1.889 ( 0.219 3.863 -3.376) 5.135 1.962 ( 4.310 2.061 0.731) 4.833 1.993 ( 6.582 1.792 -1.004) 6.895 2.106 ( 2.054 -6.302 0.208) 6.632 2.136 ( 3.108 -6.036 -1.058) 6.871 2.259 ( -1.812 -3.742 2.060) 4.640 2.289 ( -3.822 -3.745 0.805) 5.411 2.330 ( 0.054 -0.415 1.108) 1.184 2.402 ( -0.210 -2.020 -2.122) 2.937 2.476 ( 2.106 -1.562 1.590) 3.066 2.496 ( 1.984 -2.457 0.323) 3.175 2.691 ( 0.352 4.310 1.864) 4.709 2.740 ( -0.873 7.357 0.741) 7.445 2.747 ( 2.059 10.793 0.653) 11.007 2.768 ( 0.498 8.971 -0.641) 9.008 2.798 ( 0.777 6.042 0.096) 6.092 2.861 ( 2.175 10.530 -1.714) 10.888 2.971 ( -2.328 11.941 1.162) 12.221 3.030 ( -1.228 11.887 -1.496) 12.044 3.269 ( -13.647 -1.839 0.624) 13.785 3.298 ( -13.221 -1.220 -0.569) 13.289 3.971 ( 0.988 3.477 0.885) 3.721 4.016 ( -0.128 -0.776 -1.509) 1.702 4.040 ( -0.271 -2.701 1.333) 3.024 4.071 ( -0.369 -1.781 0.225) 1.833 4.132 ( -2.408 1.165 0.726) 2.771 4.153 ( -3.239 0.900 1.462) 3.666 4.210 ( -0.584 1.482 -2.063) 2.606 4.231 ( -0.303 0.199 -1.284) 1.334 4.279 ( 3.441 0.502 0.525) 3.517 4.335 ( 0.933 1.435 -1.331) 2.168 4.348 ( 0.904 0.802 -0.008) 1.208 4.387 ( 1.200 0.152 -0.926) 1.523 4.476 ( 1.182 2.220 0.885) 2.666 4.508 ( 0.421 1.339 0.392) 1.458 4.532 ( 1.302 2.168 -0.320) 2.549 4.632 ( -2.045 -2.711 -2.793) 4.396 4.740 ( -0.622 1.815 1.563) 2.475 4.784 ( -0.688 1.749 -0.664) 1.994 4.821 ( -1.843 1.024 -0.401) 2.146 4.845 ( -1.861 0.308 0.183) 1.895 4.865 ( -0.464 1.262 0.660) 1.498 4.907 ( -0.283 1.805 -0.236) 1.842 4.965 ( -0.732 1.953 -0.078) 2.087 5.021 ( -0.513 1.790 -0.657) 1.975 5.074 ( 4.260 0.091 1.210) 4.429 5.122 ( 1.532 -0.168 -0.912) 1.791 5.172 ( 3.258 -2.509 -0.012) 4.112 5.191 ( 0.041 -0.669 -0.668) 0.946 5.259 ( 1.510 -1.845 2.697) 3.600 5.311 ( 1.385 -2.864 0.007) 3.181 5.388 ( 2.640 -0.627 0.232) 2.723 5.392 ( 2.891 -1.182 -0.016) 3.123 5.549 ( -0.116 1.023 0.323) 1.079 5.552 ( -0.041 0.829 0.283) 0.877 5.631 ( 0.396 -1.358 0.420) 1.476 5.679 ( -0.720 -1.099 -1.351) 1.884 ======================= Grid point 87 (36/63) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 1.029 -0.582 0.283) 1.215 1.000 ( 0.041 -0.469 -0.136) 0.490 1.037 ( 0.511 -0.757 0.215) 0.938 1.053 ( -0.987 -0.739 -0.374) 1.288 1.247 ( -0.041 1.110 0.484) 1.211 1.254 ( -0.755 0.683 0.371) 1.084 1.286 ( 0.107 -0.920 0.452) 1.031 1.298 ( -0.868 -0.218 -0.336) 0.956 1.461 ( 2.164 7.189 2.964) 8.072 1.491 ( -0.650 5.962 2.304) 6.425 1.605 ( 1.676 5.459 -2.851) 6.382 1.631 ( -0.953 4.011 -2.901) 5.041 1.721 ( 2.373 4.230 2.934) 5.669 1.754 ( -1.796 3.096 2.394) 4.306 1.843 ( 2.934 3.839 -2.772) 5.571 1.880 ( -1.181 3.410 -3.063) 4.733 2.107 ( 6.757 -4.835 0.152) 8.310 2.132 ( 4.770 -4.281 -0.845) 6.464 2.199 ( -3.759 -6.228 0.406) 7.286 2.211 ( -3.334 -4.166 0.143) 5.338 2.228 ( 6.394 0.800 0.385) 6.455 2.245 ( 9.768 2.986 -0.630) 10.234 2.323 ( -0.952 1.087 1.311) 1.951 2.375 ( -2.695 0.350 -1.257) 2.994 2.580 ( 10.498 -3.630 0.973) 11.151 2.605 ( 11.264 -3.515 0.130) 11.801 2.704 ( 1.006 4.735 1.914) 5.205 2.719 ( -1.182 6.067 1.331) 6.323 2.766 ( -0.503 7.809 -0.803) 7.866 2.777 ( 0.522 7.446 -0.908) 7.519 2.838 ( 2.031 9.248 2.139) 9.707 2.869 ( -6.182 4.673 0.174) 7.752 2.914 ( -8.125 5.219 -0.282) 9.661 2.939 ( -12.576 5.473 1.537) 13.801 2.989 ( -4.949 7.846 -2.659) 9.650 3.021 ( -8.082 9.255 -1.254) 12.350 3.993 ( 1.133 1.210 0.315) 1.687 4.010 ( -0.587 -0.884 -0.630) 1.234 4.043 ( 0.712 -2.462 0.888) 2.712 4.061 ( -0.792 -2.343 -0.095) 2.475 4.101 ( -0.890 3.037 1.335) 3.435 4.104 ( -1.517 3.417 2.147) 4.311 4.206 ( 0.312 1.967 -2.493) 3.191 4.218 ( -0.797 1.823 -2.065) 2.867 4.330 ( 1.423 0.327 0.218) 1.477 4.348 ( -0.679 0.453 0.831) 1.165 4.364 ( 2.252 0.564 -0.993) 2.524 4.395 ( -0.587 0.330 -0.663) 0.944 4.504 ( 1.448 1.032 0.221) 1.791 4.518 ( 0.177 0.859 -0.207) 0.901 4.558 ( 1.327 0.812 -0.965) 1.831 4.589 ( -2.116 -1.403 -2.335) 3.449 4.737 ( 0.604 1.061 1.789) 2.166 4.762 ( -1.637 0.912 0.558) 1.955 4.797 ( -0.178 1.135 0.184) 1.164 4.811 ( -1.488 0.852 0.014) 1.715 4.865 ( 0.554 2.104 1.473) 2.628 4.886 ( -1.505 2.248 2.204) 3.490 4.977 ( 1.591 2.107 -2.585) 3.696 5.007 ( -1.225 2.207 -2.074) 3.267 5.120 ( 0.828 0.390 0.797) 1.214 5.131 ( -0.149 0.201 0.592) 0.643 5.202 ( 0.930 -2.210 0.178) 2.404 5.210 ( 0.218 -2.883 0.133) 2.894 5.336 ( 5.200 -1.237 0.901) 5.420 5.367 ( 4.005 -2.318 -0.398) 4.645 5.407 ( -1.161 -0.825 0.545) 1.525 5.423 ( -0.573 -1.689 -0.200) 1.795 5.547 ( -0.029 0.951 0.453) 1.054 5.549 ( -0.223 0.858 0.464) 1.000 5.644 ( 0.896 -0.942 -0.343) 1.345 5.662 ( -0.956 -0.902 -0.989) 1.645 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 -0.990 -0.440) 1.084 0.936 ( 0.000 -2.333 -0.739) 2.448 0.996 ( 0.000 -2.318 1.134) 2.580 1.027 ( 0.000 -3.301 0.399) 3.325 1.195 ( 0.000 -3.194 0.520) 3.236 1.255 ( 0.000 -4.618 0.434) 4.638 1.259 ( 0.000 -1.517 1.133) 1.893 1.272 ( 0.000 -3.408 -1.561) 3.749 1.505 ( 0.000 4.674 1.029) 4.786 1.551 ( 0.000 3.847 -1.007) 3.977 1.579 ( 0.000 5.298 -0.781) 5.355 1.679 ( 0.000 -1.008 -5.368) 5.462 1.741 ( 0.000 4.288 0.400) 4.307 1.769 ( 0.000 7.379 -0.263) 7.384 1.843 ( 0.000 2.426 3.058) 3.904 1.944 ( 0.000 0.435 -2.054) 2.100 1.976 ( 0.000 0.913 -0.215) 0.938 1.977 ( 0.000 -2.350 -0.090) 2.351 1.985 ( 0.000 1.103 -0.655) 1.283 1.998 ( 0.000 -1.169 0.175) 1.182 2.178 ( 0.000 -5.826 4.798) 7.547 2.220 ( 0.000 -6.472 3.166) 7.205 2.330 ( 0.000 0.535 0.779) 0.945 2.368 ( 0.000 -0.915 -1.178) 1.492 2.427 ( 0.000 -1.081 1.553) 1.892 2.447 ( 0.000 -1.428 0.294) 1.458 2.779 ( 0.000 4.014 -0.138) 4.016 2.850 ( 0.000 1.592 -2.534) 2.993 2.874 ( 0.000 4.435 1.065) 4.561 2.905 ( 0.000 3.822 -0.316) 3.835 2.952 ( 0.000 8.705 1.401) 8.817 3.018 ( 0.000 6.306 -1.388) 6.457 3.179 ( 0.000 5.202 -1.328) 5.369 3.218 ( 0.000 3.931 -3.631) 5.352 3.383 ( 0.000 0.107 1.937) 1.940 3.413 ( 0.000 -0.352 1.105) 1.159 3.941 ( 0.000 -3.187 0.578) 3.239 3.951 ( 0.000 -3.469 0.106) 3.470 4.056 ( 0.000 3.811 1.157) 3.982 4.103 ( 0.000 1.721 -0.817) 1.905 4.222 ( 0.000 2.930 0.242) 2.940 4.226 ( 0.000 1.923 -0.188) 1.932 4.239 ( 0.000 2.711 -0.320) 2.729 4.251 ( 0.000 2.034 -0.198) 2.044 4.283 ( 0.000 1.506 1.488) 2.117 4.344 ( 0.000 -0.831 -1.544) 1.753 4.356 ( 0.000 2.900 0.664) 2.975 4.411 ( 0.000 3.594 -1.622) 3.943 4.505 ( 0.000 1.165 0.624) 1.321 4.525 ( 0.000 0.054 0.694) 0.696 4.542 ( 0.000 0.135 -0.807) 0.818 4.575 ( 0.000 -4.503 -0.920) 4.596 4.796 ( 0.000 2.154 -0.064) 2.154 4.821 ( 0.000 1.047 -0.994) 1.443 4.862 ( 0.000 0.468 -2.559) 2.601 4.872 ( 0.000 0.255 -0.901) 0.936 4.902 ( 0.000 1.746 1.146) 2.088 4.926 ( 0.000 0.749 -0.953) 1.212 5.001 ( 0.000 0.510 1.236) 1.337 5.022 ( 0.000 -0.651 -0.021) 0.652 5.032 ( 0.000 -0.856 2.675) 2.809 5.056 ( 0.000 -0.544 0.842) 1.002 5.138 ( 0.000 -0.464 0.200) 0.505 5.159 ( 0.000 -1.931 1.092) 2.218 5.219 ( 0.000 -1.583 -0.872) 1.807 5.233 ( 0.000 -2.968 -0.212) 2.976 5.337 ( 0.000 -0.223 0.424) 0.479 5.346 ( 0.000 -0.507 -0.090) 0.514 5.570 ( 0.000 0.939 0.228) 0.966 5.579 ( 0.000 1.296 -0.038) 1.296 5.608 ( 0.000 -0.362 0.646) 0.740 5.657 ( 0.000 -1.597 -1.223) 2.011 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 1.026 -1.462 -0.477) 1.849 0.947 ( 1.104 -1.767 -0.603) 2.169 0.999 ( 0.294 -2.255 1.001) 2.484 1.026 ( -0.213 -2.918 0.217) 2.934 1.201 ( 0.518 -3.208 0.593) 3.303 1.245 ( -0.845 -3.255 0.584) 3.413 1.248 ( -1.096 -2.457 0.467) 2.731 1.266 ( -0.654 -3.519 -1.315) 3.813 1.565 ( 3.060 4.735 0.660) 5.676 1.610 ( 2.845 7.299 1.021) 7.900 1.665 ( 7.051 2.653 -1.000) 7.600 1.687 ( 1.139 0.969 -4.374) 4.623 1.767 ( 0.668 6.176 0.318) 6.220 1.787 ( 4.912 1.434 -0.960) 5.206 1.839 ( -0.205 2.339 2.445) 3.390 1.932 ( -0.492 -0.160 -2.326) 2.383 1.975 ( 0.530 0.561 0.188) 0.794 1.997 ( 1.309 -0.190 -0.945) 1.625 2.047 ( 6.874 -0.015 0.599) 6.900 2.059 ( 7.272 -1.974 -0.856) 7.583 2.156 ( -1.335 -5.162 4.401) 6.913 2.190 ( -2.154 -5.196 2.646) 6.216 2.334 ( 0.567 0.796 0.538) 1.115 2.371 ( 0.357 -0.775 -1.340) 1.589 2.434 ( 0.607 -1.861 1.254) 2.325 2.447 ( 0.251 -2.048 0.356) 2.094 2.780 ( 0.320 3.943 0.660) 4.011 2.849 ( 0.016 1.588 -1.776) 2.382 2.860 ( -1.311 4.340 1.234) 4.698 2.899 ( -0.657 3.307 -0.306) 3.385 2.985 ( 2.970 8.712 1.501) 9.326 3.043 ( 1.128 5.920 -0.929) 6.098 3.142 ( -4.806 3.658 -2.273) 6.454 3.177 ( -5.391 1.908 -4.416) 7.226 3.272 ( -9.597 2.416 2.581) 10.228 3.313 ( -7.838 2.314 1.193) 8.259 3.950 ( 1.048 -2.592 0.581) 2.856 3.962 ( 1.037 -2.883 0.072) 3.065 4.048 ( -0.895 3.076 0.883) 3.323 4.081 ( -2.069 1.169 -0.524) 2.434 4.201 ( -0.809 4.242 1.215) 4.486 4.220 ( -1.173 4.332 0.546) 4.521 4.255 ( 1.241 1.981 -0.842) 2.484 4.260 ( 0.811 2.033 -1.119) 2.458 4.302 ( 1.822 0.927 1.011) 2.281 4.348 ( 0.247 -1.048 -1.240) 1.643 4.361 ( 0.457 1.758 0.923) 2.038 4.416 ( 0.060 2.859 -1.663) 3.308 4.505 ( 0.081 0.575 0.141) 0.597 4.513 ( -0.537 -0.945 -0.345) 1.140 4.548 ( 0.027 -1.070 -0.159) 1.082 4.569 ( -0.352 -2.446 -0.590) 2.541 4.782 ( -1.148 2.113 0.157) 2.410 4.811 ( -0.957 0.959 -1.007) 1.688 4.833 ( -1.946 0.516 -0.953) 2.228 4.851 ( -1.657 0.086 -0.859) 1.868 4.900 ( -0.008 1.879 1.329) 2.302 4.935 ( 0.342 1.005 -0.320) 1.109 4.989 ( -0.691 0.273 0.973) 1.224 5.026 ( 0.311 -1.057 -0.046) 1.103 5.081 ( 3.542 0.347 1.696) 3.943 5.112 ( 3.768 -1.005 -0.631) 3.951 5.135 ( 0.236 -0.633 0.361) 0.766 5.161 ( 0.193 -1.755 0.480) 1.830 5.227 ( 1.886 -1.363 0.125) 2.330 5.252 ( 2.247 -2.606 -0.372) 3.461 5.375 ( 2.792 -0.438 0.289) 2.841 5.378 ( 2.342 -0.443 0.140) 2.388 5.571 ( 0.049 1.068 0.284) 1.106 5.579 ( -0.060 1.434 0.183) 1.447 5.612 ( 0.443 -0.613 0.241) 0.794 5.652 ( -0.497 -1.505 -1.140) 1.952 ======================= Grid point 92 (39/63) ======================= q-point: ( 0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 1.344 -1.670 -0.101) 2.146 0.971 ( 0.989 -1.122 -0.115) 1.500 1.002 ( 0.051 -2.219 0.175) 2.227 1.014 ( -1.010 -2.286 -0.253) 2.512 1.212 ( 0.542 -3.087 0.448) 3.166 1.225 ( -1.005 -2.252 0.316) 2.486 1.235 ( 0.074 -3.252 0.198) 3.258 1.249 ( -1.038 -3.433 -0.465) 3.616 1.609 ( 1.820 6.222 0.694) 6.520 1.630 ( -0.306 6.749 1.211) 6.864 1.700 ( 0.646 2.998 -1.863) 3.589 1.710 ( -0.354 4.471 -1.261) 4.659 1.801 ( 1.468 2.490 1.483) 3.248 1.821 ( -0.740 2.036 1.756) 2.789 1.888 ( 3.082 -0.569 -1.804) 3.616 1.921 ( -0.904 0.032 -2.311) 2.482 1.997 ( 2.045 -2.296 0.618) 3.136 2.030 ( 1.313 -4.395 -0.953) 4.685 2.070 ( -2.206 -4.647 1.808) 5.453 2.103 ( -3.044 -5.477 0.263) 6.272 2.294 ( 8.066 4.213 0.507) 9.114 2.320 ( 7.247 3.941 -0.673) 8.277 2.355 ( 3.163 1.789 0.900) 3.743 2.384 ( 0.703 0.300 -0.668) 1.015 2.489 ( 11.021 -4.658 0.944) 12.002 2.518 ( 11.640 -4.576 -0.113) 12.508 2.793 ( -0.110 3.538 1.445) 3.824 2.820 ( -5.432 3.085 0.718) 6.288 2.848 ( -6.142 1.388 0.129) 6.298 2.871 ( -15.863 -0.667 0.397) 15.882 2.874 ( -9.033 0.158 -0.628) 9.057 2.882 ( -2.874 1.574 -0.049) 3.277 3.070 ( 3.585 8.829 0.356) 9.535 3.145 ( -3.797 8.193 1.536) 9.160 3.153 ( 2.585 5.895 -2.865) 7.046 3.216 ( -3.429 5.946 -1.375) 7.000 3.980 ( 1.946 -1.052 0.409) 2.249 3.989 ( 1.699 -1.192 -0.018) 2.075 4.022 ( -1.679 0.953 0.552) 2.008 4.034 ( -2.509 -0.039 0.078) 2.510 4.193 ( 0.003 5.114 1.673) 5.381 4.201 ( -0.748 5.188 1.323) 5.406 4.271 ( 0.915 3.181 -1.797) 3.766 4.280 ( 0.386 3.025 -1.511) 3.403 4.333 ( 1.018 -0.261 0.644) 1.233 4.356 ( -1.127 0.642 0.855) 1.554 4.367 ( 2.141 -0.716 -0.828) 2.405 4.405 ( -1.361 0.572 -1.274) 1.950 4.509 ( 0.187 -0.108 -0.132) 0.253 4.510 ( 0.061 -1.338 -0.564) 1.453 4.548 ( 0.371 -1.727 -0.487) 1.832 4.561 ( -0.676 -1.143 -0.529) 1.430 4.768 ( -0.002 1.833 0.450) 1.888 4.784 ( -1.496 1.285 -0.072) 1.974 4.814 ( -0.112 0.367 -0.463) 0.601 4.823 ( -1.070 0.159 -0.610) 1.242 4.906 ( 0.715 2.068 1.713) 2.779 4.925 ( -1.110 1.772 1.729) 2.713 4.996 ( 1.195 -0.397 -1.276) 1.793 5.019 ( -0.938 -1.134 -0.978) 1.768 5.125 ( 0.689 0.062 0.777) 1.040 5.128 ( 0.101 -0.058 0.385) 0.402 5.157 ( 0.641 -1.874 -0.292) 2.002 5.164 ( -0.094 -1.641 -0.365) 1.684 5.316 ( 5.779 -0.727 0.506) 5.846 5.329 ( 5.035 -1.408 0.002) 5.228 5.392 ( -1.539 -0.517 0.388) 1.669 5.397 ( -1.190 -0.807 0.230) 1.456 5.572 ( 0.152 1.347 0.414) 1.417 5.576 ( -0.230 1.507 0.461) 1.593 5.625 ( 0.788 -0.996 -0.481) 1.358 5.640 ( -0.728 -1.295 -0.914) 1.744 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 0.000 -0.556 -0.730) 0.917 0.919 ( 0.000 0.556 -0.730) 0.917 0.968 ( 0.000 -1.179 1.029) 1.565 0.968 ( 0.000 1.179 1.029) 1.565 1.173 ( 0.000 -1.673 -1.223) 2.072 1.173 ( 0.000 1.673 -1.223) 2.072 1.238 ( 0.000 -0.007 0.382) 0.382 1.238 ( 0.000 0.007 0.382) 0.382 1.573 ( 0.000 -1.509 -0.160) 1.518 1.573 ( 0.000 1.509 -0.160) 1.518 1.639 ( 0.000 -2.176 -5.730) 6.129 1.639 ( 0.000 2.176 -5.730) 6.129 1.841 ( 0.000 -2.374 1.545) 2.832 1.841 ( 0.000 2.374 1.545) 2.833 1.907 ( 0.000 -3.817 0.925) 3.928 1.907 ( 0.000 3.817 0.925) 3.928 1.963 ( 0.000 -0.692 0.380) 0.790 1.963 ( 0.000 0.692 0.380) 0.790 2.012 ( 0.000 -0.490 0.535) 0.726 2.012 ( 0.000 0.490 0.535) 0.726 2.109 ( 0.000 -1.887 4.295) 4.691 2.109 ( 0.000 1.887 4.295) 4.691 2.348 ( 0.000 -1.061 -0.018) 1.061 2.348 ( 0.000 1.061 -0.018) 1.061 2.424 ( 0.000 -0.643 0.648) 0.913 2.424 ( 0.000 0.643 0.648) 0.913 2.844 ( 0.000 -1.933 -1.853) 2.677 2.844 ( 0.000 1.933 -1.853) 2.677 2.932 ( 0.000 -0.953 0.644) 1.150 2.932 ( 0.000 0.953 0.644) 1.150 3.068 ( 0.000 -1.787 0.016) 1.787 3.068 ( 0.000 1.787 0.016) 1.787 3.237 ( 0.000 -1.047 -3.905) 4.043 3.237 ( 0.000 1.047 -3.905) 4.043 3.400 ( 0.000 -1.054 2.102) 2.351 3.400 ( 0.000 1.054 2.102) 2.351 3.911 ( 0.000 -0.294 0.645) 0.709 3.911 ( 0.000 0.294 0.645) 0.709 4.111 ( 0.000 -1.159 0.443) 1.241 4.111 ( 0.000 1.159 0.443) 1.241 4.255 ( 0.000 -0.289 -0.281) 0.403 4.255 ( 0.000 0.289 -0.281) 0.403 4.278 ( 0.000 -0.084 -0.170) 0.190 4.278 ( 0.000 0.084 -0.170) 0.190 4.306 ( 0.000 -2.045 0.391) 2.082 4.306 ( 0.000 2.045 0.391) 2.082 4.457 ( 0.000 -5.020 0.117) 5.021 4.457 ( 0.000 5.020 0.117) 5.021 4.495 ( 0.000 -1.825 -0.214) 1.838 4.495 ( 0.000 1.825 -0.214) 1.838 4.532 ( 0.000 -0.866 0.128) 0.875 4.532 ( 0.000 0.866 0.128) 0.875 4.829 ( 0.000 -0.603 -0.768) 0.976 4.829 ( 0.000 0.603 -0.768) 0.976 4.872 ( 0.000 -0.325 -2.553) 2.573 4.872 ( 0.000 0.325 -2.553) 2.573 4.930 ( 0.000 -0.655 0.713) 0.968 4.930 ( 0.000 0.655 0.713) 0.968 5.009 ( 0.000 -0.338 0.004) 0.338 5.009 ( 0.000 0.338 0.004) 0.338 5.029 ( 0.000 -1.236 2.756) 3.020 5.029 ( 0.000 1.236 2.756) 3.020 5.136 ( 0.000 -0.312 0.456) 0.552 5.136 ( 0.000 0.312 0.456) 0.552 5.197 ( 0.000 -0.180 -1.081) 1.096 5.197 ( 0.000 0.180 -1.081) 1.096 5.338 ( 0.000 -0.284 0.192) 0.343 5.338 ( 0.000 0.284 0.192) 0.343 5.587 ( 0.000 -0.530 -0.126) 0.545 5.587 ( 0.000 0.530 -0.126) 0.545 5.623 ( 0.000 -1.542 -0.083) 1.544 5.623 ( 0.000 1.542 -0.083) 1.544 ======================= Grid point 97 (41/63) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 0.957 -0.760 -0.577) 1.351 0.928 ( 0.957 0.760 -0.577) 1.351 0.975 ( 0.519 -1.149 0.889) 1.543 0.975 ( 0.519 1.149 0.889) 1.543 1.175 ( 0.218 -1.374 -0.852) 1.631 1.175 ( 0.218 1.374 -0.852) 1.631 1.226 ( -1.118 -0.222 0.059) 1.141 1.226 ( -1.118 0.222 0.059) 1.141 1.640 ( 3.460 -2.471 -2.001) 4.699 1.640 ( 3.460 2.471 -2.001) 4.699 1.699 ( 6.140 -0.870 -2.668) 6.751 1.699 ( 6.140 0.870 -2.668) 6.751 1.837 ( -0.326 -1.837 1.509) 2.400 1.837 ( -0.326 1.837 1.509) 2.400 1.888 ( -1.402 -3.953 0.506) 4.225 1.888 ( -1.402 3.953 0.506) 4.225 2.003 ( 0.698 -1.259 0.929) 1.713 2.003 ( 0.698 1.259 0.929) 1.713 2.030 ( 3.199 -0.609 -0.402) 3.281 2.030 ( 3.199 0.609 -0.402) 3.281 2.112 ( 4.279 -1.380 3.571) 5.742 2.112 ( 4.279 1.380 3.571) 5.742 2.356 ( 0.742 -0.998 -0.164) 1.254 2.356 ( 0.742 0.998 -0.164) 1.254 2.418 ( -0.667 -0.474 0.425) 0.922 2.418 ( -0.667 0.474 0.425) 0.922 2.843 ( 0.183 -1.865 -0.945) 2.099 2.843 ( 0.183 1.865 -0.945) 2.099 2.919 ( -1.262 -1.132 0.726) 1.844 2.919 ( -1.262 1.132 0.726) 1.844 3.092 ( 0.065 -1.204 0.439) 1.283 3.092 ( 0.065 1.204 0.439) 1.283 3.178 ( -6.222 -1.139 -4.113) 7.545 3.178 ( -6.222 1.139 -4.113) 7.545 3.325 ( -5.187 -1.493 1.863) 5.710 3.325 ( -5.187 1.493 1.863) 5.710 3.928 ( 1.729 -0.332 0.572) 1.851 3.928 ( 1.729 0.332 0.572) 1.851 4.091 ( -2.080 -0.737 0.331) 2.232 4.091 ( -2.080 0.737 0.331) 2.232 4.270 ( 1.262 -0.585 -0.380) 1.442 4.270 ( 1.262 0.585 -0.380) 1.442 4.288 ( 0.899 -0.899 0.398) 1.333 4.288 ( 0.899 0.899 0.398) 1.333 4.305 ( 0.059 -0.985 0.255) 1.019 4.305 ( 0.059 0.985 0.255) 1.019 4.437 ( -2.032 -4.686 0.594) 5.142 4.437 ( -2.032 4.686 0.594) 5.142 4.487 ( 0.130 -2.416 -1.687) 2.950 4.487 ( 0.130 2.416 -1.687) 2.950 4.541 ( 0.166 -1.208 0.682) 1.397 4.541 ( 0.166 1.208 0.682) 1.397 4.818 ( -0.970 -0.796 -0.678) 1.427 4.818 ( -0.970 0.796 -0.678) 1.427 4.844 ( -2.016 -0.614 -1.587) 2.638 4.844 ( -2.016 0.614 -1.587) 2.638 4.939 ( 0.766 -1.332 0.398) 1.588 4.939 ( 0.766 1.332 0.398) 1.588 4.993 ( -0.914 -1.174 1.056) 1.825 4.993 ( -0.914 1.174 1.056) 1.825 5.091 ( 4.012 -0.786 0.876) 4.181 5.091 ( 4.012 0.786 0.876) 4.181 5.136 ( 0.059 -0.576 0.270) 0.639 5.136 ( 0.059 0.576 0.270) 0.639 5.215 ( 2.627 -0.596 -0.687) 2.780 5.215 ( 2.627 0.596 -0.687) 2.780 5.372 ( 2.492 -0.135 0.256) 2.509 5.372 ( 2.492 0.135 0.256) 2.509 5.590 ( 0.365 -0.686 -0.166) 0.795 5.590 ( 0.365 0.686 -0.166) 0.795 5.619 ( -0.357 -1.468 -0.074) 1.512 5.619 ( -0.357 1.468 -0.074) 1.512 ======================= Grid point 99 (42/63) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 1.553 -0.783 -0.119) 1.744 0.954 ( 1.553 0.783 -0.119) 1.744 0.977 ( -0.603 -0.832 0.456) 1.124 0.977 ( -0.603 0.832 0.456) 1.124 1.183 ( 0.644 -0.865 -0.326) 1.127 1.183 ( 0.644 0.865 -0.326) 1.127 1.201 ( -1.272 -0.609 -0.219) 1.427 1.201 ( -1.272 0.609 -0.219) 1.427 1.704 ( 3.335 -1.607 -1.299) 3.923 1.704 ( 3.335 1.607 -1.299) 3.923 1.750 ( -0.808 -1.358 -0.315) 1.611 1.750 ( -0.808 1.358 -0.315) 1.611 1.839 ( 0.654 -1.943 0.638) 2.148 1.839 ( 0.654 1.943 0.638) 2.148 1.860 ( -1.457 -3.987 0.369) 4.261 1.860 ( -1.457 3.987 0.369) 4.261 2.006 ( 0.224 -1.063 0.309) 1.129 2.006 ( 0.224 1.063 0.309) 1.129 2.021 ( -1.461 -1.400 0.272) 2.042 2.021 ( -1.461 1.400 0.272) 2.042 2.374 ( 1.976 -0.730 -0.250) 2.122 2.374 ( 1.976 0.730 -0.250) 2.122 2.391 ( 4.374 -3.437 0.606) 5.596 2.391 ( 4.374 3.437 0.606) 5.596 2.422 ( 15.853 -4.024 -0.006) 16.356 2.422 ( 15.853 4.024 -0.006) 16.356 2.831 ( -15.198 -0.619 -0.232) 15.212 2.831 ( -15.198 0.619 -0.232) 15.212 2.867 ( -3.473 -0.992 0.219) 3.618 2.867 ( -3.473 0.992 0.219) 3.618 2.891 ( -2.484 -1.153 0.750) 2.840 2.891 ( -2.484 1.153 0.750) 2.840 3.190 ( 3.450 -2.283 -1.042) 4.266 3.190 ( 3.450 2.283 -1.042) 4.266 3.253 ( -3.126 -2.001 -0.134) 3.714 3.253 ( -3.126 2.001 -0.134) 3.714 3.975 ( 3.044 -0.319 0.429) 3.091 3.975 ( 3.044 0.319 0.429) 3.091 4.037 ( -3.296 -0.256 0.300) 3.320 4.037 ( -3.296 0.256 0.300) 3.320 4.285 ( 0.409 -1.960 0.366) 2.035 4.285 ( 0.409 1.960 0.366) 2.035 4.292 ( -0.317 -3.255 0.716) 3.348 4.292 ( -0.317 3.255 0.716) 3.348 4.335 ( 2.791 -1.732 -0.359) 3.305 4.335 ( 2.791 1.732 -0.359) 3.305 4.390 ( -2.751 -2.295 -0.257) 3.592 4.390 ( -2.751 2.295 -0.257) 3.592 4.504 ( 1.381 -1.256 -1.027) 2.131 4.504 ( 1.381 1.256 -1.027) 2.131 4.530 ( -1.165 -1.331 0.096) 1.771 4.530 ( -1.165 1.331 0.096) 1.771 4.804 ( -0.214 -1.083 -0.626) 1.270 4.804 ( -0.214 1.083 -0.626) 1.270 4.813 ( -1.112 -0.987 -0.885) 1.730 4.813 ( -1.112 0.987 -0.885) 1.730 4.956 ( 0.937 -1.879 0.619) 2.189 4.956 ( 0.937 1.879 0.619) 2.189 4.974 ( -0.994 -1.781 0.945) 2.248 4.974 ( -0.994 1.781 0.945) 2.248 5.131 ( 0.664 -0.736 -0.212) 1.014 5.131 ( 0.664 0.736 -0.212) 1.014 5.137 ( -0.074 -0.858 -0.141) 0.873 5.137 ( -0.074 0.858 -0.141) 0.873 5.310 ( 5.918 -0.306 0.246) 5.931 5.310 ( 5.918 0.306 0.246) 5.931 5.388 ( -1.561 -0.099 0.344) 1.601 5.388 ( -1.561 0.099 0.344) 1.601 5.599 ( 0.558 -0.978 -0.201) 1.144 5.599 ( 0.558 0.978 -0.201) 1.144 5.610 ( -0.545 -1.253 -0.107) 1.371 5.610 ( -0.545 1.253 -0.107) 1.371 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 0.000 -10.104) 10.104 0.526 ( 0.000 0.000 10.104) 10.104 0.662 ( 0.000 0.000 -10.502) 10.502 0.662 ( 0.000 0.000 10.502) 10.502 0.854 ( 0.000 0.000 -0.899) 0.899 0.854 ( 0.000 0.000 0.899) 0.899 0.974 ( 0.000 0.000 -5.926) 5.926 0.974 ( 0.000 0.000 5.926) 5.926 1.118 ( 0.000 0.000 -17.713) 17.713 1.118 ( 0.000 0.000 17.713) 17.713 1.186 ( 0.000 0.000 -4.211) 4.211 1.186 ( 0.000 0.000 4.211) 4.211 1.272 ( 0.000 0.000 -4.081) 4.081 1.272 ( 0.000 0.000 4.081) 4.081 1.494 ( 0.000 0.000 -5.225) 5.225 1.494 ( 0.000 0.000 5.225) 5.225 1.603 ( 0.000 0.000 -2.766) 2.766 1.603 ( 0.000 0.000 2.766) 2.766 1.999 ( 0.000 0.000 -8.506) 8.506 1.999 ( 0.000 0.000 8.506) 8.506 2.031 ( 0.000 0.000 -0.161) 0.161 2.031 ( 0.000 0.000 0.161) 0.161 2.050 ( 0.000 0.000 -0.260) 0.260 2.050 ( 0.000 0.000 0.260) 0.260 2.394 ( 0.000 0.000 -0.677) 0.677 2.394 ( 0.000 0.000 0.677) 0.677 2.430 ( 0.000 0.000 -0.346) 0.346 2.430 ( 0.000 0.000 0.346) 0.346 2.612 ( 0.000 0.000 -5.108) 5.108 2.612 ( 0.000 0.000 5.108) 5.108 2.714 ( 0.000 0.000 -1.925) 1.925 2.714 ( 0.000 0.000 1.925) 1.925 2.845 ( 0.000 0.000 -2.696) 2.696 2.845 ( 0.000 0.000 2.696) 2.696 3.632 ( 0.000 0.000 -3.445) 3.445 3.632 ( 0.000 0.000 3.445) 3.445 3.691 ( 0.000 0.000 -1.746) 1.746 3.691 ( 0.000 0.000 1.746) 1.746 3.798 ( 0.000 0.000 -0.931) 0.931 3.798 ( 0.000 0.000 0.931) 0.931 3.951 ( 0.000 0.000 -1.260) 1.260 3.951 ( 0.000 0.000 1.260) 1.260 4.020 ( 0.000 0.000 -1.587) 1.587 4.020 ( 0.000 0.000 1.587) 1.587 4.063 ( 0.000 0.000 -2.018) 2.018 4.063 ( 0.000 0.000 2.018) 2.018 4.225 ( 0.000 0.000 -1.375) 1.375 4.225 ( 0.000 0.000 1.375) 1.375 4.473 ( 0.000 0.000 -0.424) 0.424 4.473 ( 0.000 0.000 0.424) 0.424 4.508 ( 0.000 0.000 -2.548) 2.548 4.508 ( 0.000 0.000 2.548) 2.548 4.565 ( 0.000 0.000 -1.970) 1.970 4.565 ( 0.000 0.000 1.970) 1.970 4.819 ( 0.000 0.000 -1.143) 1.143 4.819 ( 0.000 0.000 1.143) 1.143 4.926 ( 0.000 0.000 -0.803) 0.803 4.926 ( 0.000 0.000 0.803) 0.803 5.006 ( 0.000 0.000 -1.905) 1.905 5.006 ( 0.000 0.000 1.905) 1.905 5.164 ( 0.000 0.000 -3.840) 3.840 5.164 ( 0.000 0.000 3.840) 3.840 5.243 ( 0.000 0.000 -1.390) 1.390 5.243 ( 0.000 0.000 1.390) 1.390 5.312 ( 0.000 0.000 -1.892) 1.892 5.312 ( 0.000 0.000 1.892) 1.892 5.467 ( 0.000 0.000 -0.483) 0.483 5.467 ( 0.000 0.000 0.483) 0.483 5.657 ( 0.000 0.000 -2.090) 2.090 5.657 ( 0.000 0.000 2.090) 2.090 6.029 ( 0.000 0.000 -0.665) 0.665 6.029 ( 0.000 0.000 0.665) 0.665 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 3.112 0.000 -11.424) 11.840 0.633 ( 3.112 0.000 11.424) 11.840 0.698 ( 3.371 0.000 -8.021) 8.700 0.698 ( 3.371 0.000 8.021) 8.700 0.851 ( -0.404 0.000 -1.171) 1.239 0.851 ( -0.404 0.000 1.171) 1.239 0.926 ( -5.807 0.000 -3.730) 6.902 0.926 ( -5.807 0.000 3.730) 6.902 1.149 ( 7.263 0.000 -7.072) 10.138 1.149 ( 7.263 0.000 7.072) 10.138 1.298 ( 2.785 0.000 -4.421) 5.226 1.298 ( 2.785 0.000 4.421) 5.226 1.357 ( 16.102 0.000 -9.212) 18.551 1.357 ( 16.102 0.000 9.212) 18.551 1.560 ( 5.175 0.000 -4.390) 6.787 1.560 ( 5.175 0.000 4.390) 6.787 1.571 ( -3.271 0.000 -3.164) 4.551 1.571 ( -3.271 0.000 3.164) 4.551 1.969 ( -1.464 0.000 -5.527) 5.718 1.969 ( -1.464 0.000 5.527) 5.718 2.030 ( -0.034 0.000 -0.164) 0.167 2.030 ( -0.034 0.000 0.164) 0.167 2.047 ( -0.300 0.000 -0.316) 0.436 2.047 ( -0.300 0.000 0.316) 0.436 2.350 ( -4.792 0.000 -2.193) 5.270 2.350 ( -4.792 0.000 2.193) 5.270 2.477 ( 4.159 0.000 -1.084) 4.298 2.477 ( 4.159 0.000 1.084) 4.298 2.542 ( -5.254 0.000 -3.204) 6.154 2.542 ( -5.254 0.000 3.204) 6.154 2.748 ( 3.151 0.000 -1.466) 3.475 2.748 ( 3.151 0.000 1.466) 3.475 2.804 ( -2.787 0.000 -1.167) 3.021 2.804 ( -2.787 0.000 1.167) 3.021 3.482 ( -14.526 0.000 -3.769) 15.007 3.482 ( -14.526 0.000 3.769) 15.007 3.688 ( -0.228 0.000 -1.391) 1.410 3.688 ( -0.228 0.000 1.391) 1.410 3.797 ( -0.056 0.000 -0.776) 0.778 3.797 ( -0.056 0.000 0.776) 0.778 3.958 ( 0.748 0.000 -1.189) 1.405 3.958 ( 0.748 0.000 1.189) 1.405 4.014 ( -0.599 0.000 -1.504) 1.619 4.014 ( -0.599 0.000 1.504) 1.619 4.179 ( 6.513 0.000 -2.041) 6.825 4.179 ( 6.513 0.000 2.041) 6.825 4.271 ( 5.944 0.000 -2.375) 6.401 4.271 ( 5.944 0.000 2.375) 6.401 4.461 ( -0.587 0.000 -0.725) 0.933 4.461 ( -0.587 0.000 0.725) 0.933 4.513 ( 0.430 0.000 -2.511) 2.548 4.513 ( 0.430 0.000 2.511) 2.548 4.559 ( -0.593 0.000 -2.046) 2.130 4.559 ( -0.593 0.000 2.046) 2.130 4.792 ( -3.597 0.000 -2.339) 4.291 4.792 ( -3.597 0.000 2.339) 4.291 4.854 ( -6.163 0.000 -1.083) 6.258 4.854 ( -6.163 0.000 1.083) 6.258 4.952 ( -0.187 0.000 -2.041) 2.049 4.952 ( -0.187 0.000 2.041) 2.049 5.200 ( -0.543 0.000 -3.195) 3.241 5.200 ( -0.543 0.000 3.195) 3.241 5.260 ( 0.835 0.000 -3.194) 3.301 5.260 ( 0.835 0.000 3.194) 3.301 5.391 ( 7.170 0.000 -2.232) 7.509 5.391 ( 7.170 0.000 2.232) 7.509 5.532 ( 5.901 0.000 -0.853) 5.963 5.532 ( 5.901 0.000 0.853) 5.963 5.683 ( 2.633 0.000 -2.608) 3.706 5.683 ( 2.633 0.000 2.608) 3.706 5.973 ( -5.172 0.000 -1.616) 5.418 5.973 ( -5.172 0.000 1.616) 5.418 ======================= Grid point 134 (45/63) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -2.557 0.000 -7.007) 7.459 0.609 ( -2.557 0.000 7.007) 7.459 0.763 ( 2.670 0.000 -3.393) 4.318 0.763 ( 2.670 0.000 3.393) 4.318 0.834 ( -2.645 0.000 -3.076) 4.057 0.834 ( -2.645 0.000 3.076) 4.057 0.836 ( -1.005 0.000 -1.299) 1.643 0.836 ( -1.005 0.000 1.299) 1.643 1.286 ( 4.993 0.000 -1.956) 5.363 1.286 ( 4.993 0.000 1.956) 5.363 1.377 ( 5.217 0.000 -4.672) 7.003 1.377 ( 5.217 0.000 4.672) 7.003 1.485 ( -5.468 0.000 -4.038) 6.797 1.485 ( -5.468 0.000 4.038) 6.797 1.556 ( 0.857 0.000 -3.037) 3.156 1.556 ( 0.857 0.000 3.037) 3.156 1.732 ( 10.078 0.000 -1.905) 10.256 1.732 ( 10.078 0.000 1.905) 10.256 2.009 ( 5.284 0.000 -0.983) 5.374 2.009 ( 5.284 0.000 0.983) 5.374 2.030 ( 0.019 0.000 -0.148) 0.149 2.030 ( 0.019 0.000 0.148) 0.149 2.041 ( -0.209 0.000 -0.212) 0.298 2.041 ( -0.209 0.000 0.212) 0.298 2.276 ( -0.311 0.000 -2.099) 2.122 2.276 ( -0.311 0.000 2.099) 2.122 2.407 ( -7.542 0.000 -2.916) 8.086 2.407 ( -7.542 0.000 2.916) 8.086 2.577 ( 3.929 0.000 -0.740) 3.998 2.577 ( 3.929 0.000 0.740) 3.998 2.736 ( -2.745 0.000 -0.169) 2.751 2.736 ( -2.745 0.000 0.169) 2.751 2.870 ( 9.092 0.000 -2.966) 9.564 2.870 ( 9.092 0.000 2.966) 9.564 3.150 ( -17.702 0.000 -4.038) 18.156 3.150 ( -17.702 0.000 4.038) 18.156 3.684 ( -0.138 0.000 -0.519) 0.537 3.684 ( -0.138 0.000 0.519) 0.537 3.796 ( -0.035 0.000 -0.308) 0.310 3.796 ( -0.035 0.000 0.308) 0.310 3.977 ( 1.126 0.000 -1.143) 1.605 3.977 ( 1.126 0.000 1.143) 1.605 3.998 ( -1.035 0.000 -1.301) 1.662 3.998 ( -1.035 0.000 1.301) 1.662 4.247 ( 1.987 0.000 -1.174) 2.308 4.247 ( 1.987 0.000 1.174) 2.308 4.348 ( -0.080 0.000 -1.981) 1.983 4.348 ( -0.080 0.000 1.981) 1.983 4.520 ( 6.720 0.000 -1.318) 6.848 4.520 ( 6.720 0.000 1.318) 6.848 4.523 ( 0.616 0.000 -2.001) 2.094 4.523 ( 0.616 0.000 2.001) 2.094 4.546 ( -0.717 0.000 -1.825) 1.960 4.546 ( -0.717 0.000 1.825) 1.960 4.672 ( -6.873 0.000 -1.200) 6.977 4.672 ( -6.873 0.000 1.200) 6.977 4.803 ( -0.868 0.000 -0.234) 0.899 4.803 ( -0.868 0.000 0.234) 0.899 4.954 ( 0.146 0.000 -0.775) 0.789 4.954 ( 0.146 0.000 0.775) 0.789 5.185 ( -0.519 0.000 -1.036) 1.159 5.185 ( -0.519 0.000 1.036) 1.159 5.264 ( -0.049 0.000 -0.914) 0.915 5.264 ( -0.049 0.000 0.914) 0.915 5.494 ( 2.937 0.000 -0.871) 3.063 5.494 ( 2.937 0.000 0.871) 3.063 5.634 ( 3.271 0.000 -0.625) 3.330 5.634 ( 3.271 0.000 0.625) 3.330 5.752 ( 4.503 0.000 -2.304) 5.059 5.752 ( 4.503 0.000 2.304) 5.059 5.862 ( -5.856 0.000 -2.091) 6.219 5.862 ( -5.856 0.000 2.091) 6.219 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 6.240 -5.475) 8.302 0.614 ( 0.000 6.240 5.475) 8.302 0.621 ( 0.000 -1.268 -15.037) 15.090 0.621 ( 0.000 -1.268 15.037) 15.090 0.941 ( 0.000 10.584 -0.784) 10.613 0.941 ( 0.000 10.584 0.784) 10.613 1.033 ( 0.000 1.980 -0.583) 2.064 1.033 ( 0.000 1.980 0.583) 2.064 1.087 ( 0.000 0.355 -0.047) 0.358 1.087 ( 0.000 0.355 0.047) 0.358 1.322 ( 0.000 5.135 -4.298) 6.696 1.322 ( 0.000 5.135 4.298) 6.696 1.350 ( 0.000 5.342 -5.478) 7.652 1.350 ( 0.000 5.342 5.478) 7.652 1.505 ( 0.000 10.660 -3.282) 11.154 1.505 ( 0.000 10.660 3.282) 11.154 1.737 ( 0.000 2.213 -0.797) 2.352 1.737 ( 0.000 2.213 0.797) 2.352 1.912 ( 0.000 3.121 -3.574) 4.745 1.912 ( 0.000 3.121 3.574) 4.745 2.065 ( 0.000 3.404 -0.088) 3.405 2.065 ( 0.000 3.404 0.088) 3.405 2.219 ( 0.000 9.214 -1.715) 9.373 2.219 ( 0.000 9.214 1.715) 9.373 2.393 ( 0.000 -0.054 -1.372) 1.373 2.393 ( 0.000 -0.054 1.372) 1.373 2.436 ( 0.000 0.681 -0.332) 0.757 2.436 ( 0.000 0.681 0.332) 0.757 2.559 ( 0.000 -6.621 -0.947) 6.688 2.559 ( 0.000 -6.621 0.947) 6.688 2.631 ( 0.000 -2.628 -5.083) 5.722 2.631 ( 0.000 -2.628 5.083) 5.722 2.757 ( 0.000 -3.783 -2.190) 4.371 2.757 ( 0.000 -3.783 2.190) 4.371 3.597 ( 0.000 -2.326 -3.111) 3.884 3.597 ( 0.000 -2.326 3.111) 3.884 3.838 ( 0.000 7.550 -1.860) 7.776 3.838 ( 0.000 7.550 1.860) 7.776 3.904 ( 0.000 2.630 -0.630) 2.704 3.904 ( 0.000 2.630 0.630) 2.704 4.003 ( 0.000 4.170 -0.342) 4.184 4.003 ( 0.000 4.170 0.342) 4.184 4.080 ( 0.000 8.463 -3.994) 9.358 4.080 ( 0.000 8.463 3.994) 9.358 4.144 ( 0.000 7.196 -1.445) 7.340 4.144 ( 0.000 7.196 1.445) 7.340 4.228 ( 0.000 0.789 -1.093) 1.348 4.228 ( 0.000 0.789 1.093) 1.348 4.471 ( 0.000 -0.078 -0.321) 0.330 4.471 ( 0.000 -0.078 0.321) 0.330 4.553 ( 0.000 3.544 -1.902) 4.023 4.553 ( 0.000 3.544 1.902) 4.023 4.574 ( 0.000 1.161 -2.456) 2.716 4.574 ( 0.000 1.161 2.456) 2.716 4.827 ( 0.000 0.566 -0.381) 0.682 4.827 ( 0.000 0.566 0.381) 0.682 4.905 ( 0.000 -2.197 -0.867) 2.362 4.905 ( 0.000 -2.197 0.867) 2.362 5.005 ( 0.000 -0.205 -1.397) 1.412 5.005 ( 0.000 -0.205 1.397) 1.412 5.130 ( 0.000 -3.626 -5.655) 6.718 5.130 ( 0.000 -3.626 5.655) 6.718 5.237 ( 0.000 0.236 -0.700) 0.738 5.237 ( 0.000 0.236 0.700) 0.738 5.296 ( 0.000 -1.195 -1.656) 2.042 5.296 ( 0.000 -1.195 1.656) 2.042 5.455 ( 0.000 -1.060 -0.357) 1.119 5.455 ( 0.000 -1.060 0.357) 1.119 5.633 ( 0.000 -2.145 -1.909) 2.871 5.633 ( 0.000 -2.145 1.909) 2.871 5.943 ( 0.000 -6.906 -2.316) 7.284 5.943 ( 0.000 -6.906 2.316) 7.284 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.028 -0.825 -10.737) 10.769 0.621 ( -0.028 -0.825 10.737) 10.769 0.729 ( 4.394 4.651 -4.837) 8.021 0.729 ( 4.394 4.651 4.837) 8.021 0.934 ( -0.325 9.518 -1.582) 9.654 0.934 ( -0.325 9.518 1.582) 9.654 1.032 ( 1.670 2.361 -1.524) 3.269 1.032 ( 1.670 2.361 1.524) 3.269 1.153 ( 3.823 5.411 -1.875) 6.886 1.153 ( 3.823 5.411 1.875) 6.886 1.360 ( 3.122 2.425 -1.738) 4.318 1.360 ( 3.122 2.425 1.738) 4.318 1.426 ( 8.089 0.331 -2.473) 8.465 1.426 ( 8.089 0.331 2.473) 8.465 1.537 ( 5.759 12.187 -9.068) 16.246 1.537 ( 5.759 12.187 9.068) 16.246 1.715 ( -2.527 1.435 -1.189) 3.140 1.715 ( -2.527 1.435 1.189) 3.140 1.907 ( 0.233 3.721 -2.623) 4.559 1.907 ( 0.233 3.721 2.623) 4.559 2.068 ( 0.675 3.646 -0.749) 3.783 2.068 ( 0.675 3.646 0.749) 3.783 2.208 ( -0.896 9.268 -1.353) 9.409 2.208 ( -0.896 9.268 1.353) 9.409 2.360 ( -3.514 1.130 -2.115) 4.254 2.360 ( -3.514 1.130 2.115) 4.254 2.472 ( 1.686 -1.396 -2.377) 3.231 2.472 ( 1.686 -1.396 2.377) 3.231 2.500 ( -1.841 -1.811 -1.686) 3.084 2.500 ( -1.841 -1.811 1.686) 3.084 2.698 ( 4.060 -4.354 -3.291) 6.803 2.698 ( 4.060 -4.354 3.291) 6.803 2.748 ( -0.448 -2.443 -1.950) 3.158 2.748 ( -0.448 -2.443 1.950) 3.158 3.449 ( -14.432 -2.333 -3.172) 14.959 3.449 ( -14.432 -2.333 3.172) 14.959 3.818 ( -1.650 7.953 -1.215) 8.213 3.818 ( -1.650 7.953 1.215) 8.213 3.891 ( -0.807 5.260 -0.655) 5.361 3.891 ( -0.807 5.260 0.655) 5.361 4.008 ( 0.395 3.202 -0.204) 3.233 4.008 ( 0.395 3.202 0.204) 3.233 4.042 ( -1.529 4.977 -1.221) 5.348 4.042 ( -1.529 4.977 1.221) 5.348 4.214 ( 3.261 2.650 -1.944) 4.630 4.214 ( 3.261 2.650 1.944) 4.630 4.293 ( 6.011 2.502 -3.164) 7.239 4.293 ( 6.011 2.502 3.164) 7.239 4.459 ( -0.800 -0.042 -0.599) 1.001 4.459 ( -0.800 -0.042 0.599) 1.001 4.560 ( 0.166 2.435 -1.525) 2.878 4.560 ( 0.166 2.435 1.525) 2.878 4.567 ( -0.025 2.256 -2.062) 3.057 4.567 ( -0.025 2.256 2.062) 3.057 4.804 ( -2.773 0.694 -1.787) 3.371 4.804 ( -2.773 0.694 1.787) 3.371 4.854 ( -6.444 0.153 -0.879) 6.505 4.854 ( -6.444 0.153 0.879) 6.505 4.927 ( -0.234 -2.256 -1.769) 2.877 4.927 ( -0.234 -2.256 1.769) 2.877 5.178 ( -0.155 -2.133 -2.867) 3.576 5.178 ( -0.155 -2.133 2.867) 3.576 5.263 ( 1.061 0.538 -1.985) 2.314 5.263 ( 1.061 0.538 1.985) 2.314 5.364 ( 7.154 -2.356 -1.826) 7.750 5.364 ( 7.154 -2.356 1.826) 7.750 5.510 ( 4.959 -1.936 -0.563) 5.353 5.510 ( 4.959 -1.936 0.563) 5.353 5.656 ( 2.329 -2.442 -2.364) 4.120 5.656 ( 2.329 -2.442 2.364) 4.120 5.900 ( -4.114 -6.000 -2.540) 7.705 5.900 ( -4.114 -6.000 2.540) 7.705 ======================= Grid point 144 (48/63) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -1.856 1.940 -2.806) 3.883 0.593 ( -1.856 1.940 2.806) 3.883 0.761 ( 0.370 3.051 -0.848) 3.188 0.761 ( 0.370 3.051 0.848) 3.188 0.956 ( 2.743 9.215 -1.386) 9.715 0.956 ( 2.743 9.215 1.386) 9.715 1.019 ( -2.795 9.083 -1.807) 9.674 1.019 ( -2.795 9.083 1.807) 9.674 1.218 ( 2.292 1.533 -1.875) 3.335 1.218 ( 2.292 1.533 1.875) 3.335 1.396 ( 1.014 -0.981 -1.170) 1.832 1.396 ( 1.014 -0.981 1.170) 1.832 1.534 ( 4.124 1.645 -0.966) 4.544 1.534 ( 4.124 1.645 0.966) 4.544 1.634 ( -4.748 3.645 -0.694) 6.026 1.634 ( -4.748 3.645 0.694) 6.026 1.769 ( 9.516 7.430 -5.277) 13.175 1.769 ( 9.516 7.430 5.277) 13.175 1.931 ( 1.310 1.410 -1.275) 2.309 1.931 ( 1.310 1.410 1.275) 2.309 2.132 ( 7.195 5.742 -3.118) 9.719 2.132 ( 7.195 5.742 3.118) 9.719 2.195 ( -0.327 8.860 -1.604) 9.010 2.195 ( -0.327 8.860 1.604) 9.010 2.299 ( -1.643 2.718 -1.483) 3.505 2.299 ( -1.643 2.718 1.483) 3.505 2.385 ( -6.973 -1.644 -2.583) 7.616 2.385 ( -6.973 -1.644 2.583) 7.616 2.566 ( 3.572 -0.649 -1.001) 3.765 2.566 ( 3.572 -0.649 1.001) 3.765 2.696 ( -2.082 -3.122 -1.057) 3.899 2.696 ( -2.082 -3.122 1.057) 3.899 2.841 ( 9.465 -2.201 -3.256) 10.248 2.841 ( 9.465 -2.201 3.256) 10.248 3.117 ( -17.863 -2.489 -3.440) 18.361 3.117 ( -17.863 -2.489 3.440) 18.361 3.793 ( -0.761 8.068 -0.335) 8.110 3.793 ( -0.761 8.068 0.335) 8.110 3.881 ( -0.278 6.015 -0.253) 6.027 3.881 ( -0.278 6.015 0.253) 6.027 4.015 ( 0.301 2.862 -0.382) 2.903 4.015 ( 0.301 2.862 0.382) 2.903 4.025 ( -0.463 3.171 -0.457) 3.237 4.025 ( -0.463 3.171 0.457) 3.237 4.266 ( 2.080 1.882 -1.042) 2.992 4.266 ( 2.080 1.882 1.042) 2.992 4.354 ( -0.192 0.840 -1.829) 2.022 4.354 ( -0.192 0.840 1.829) 2.022 4.479 ( 2.647 -1.446 -1.453) 3.348 4.479 ( 2.647 -1.446 1.453) 3.348 4.541 ( -1.299 0.336 -1.858) 2.292 4.541 ( -1.299 0.336 1.858) 2.292 4.603 ( 3.473 3.936 -1.336) 5.417 4.603 ( 3.473 3.936 1.336) 5.417 4.698 ( -6.124 2.396 -0.882) 6.635 4.698 ( -6.124 2.396 0.882) 6.635 4.799 ( -0.901 -0.286 -0.110) 0.952 4.799 ( -0.901 -0.286 0.110) 0.952 4.933 ( 0.290 -1.990 -0.562) 2.088 4.933 ( 0.290 -1.990 0.562) 2.088 5.166 ( -0.499 -1.629 -0.881) 1.918 5.166 ( -0.499 -1.629 0.881) 1.918 5.268 ( -0.027 0.487 -0.579) 0.757 5.268 ( -0.027 0.487 0.579) 0.757 5.473 ( 3.173 -1.909 -0.896) 3.810 5.473 ( 3.173 -1.909 0.896) 3.810 5.597 ( 2.871 -3.352 -0.612) 4.456 5.597 ( 2.871 -3.352 0.612) 4.456 5.718 ( 4.114 -3.191 -2.421) 5.742 5.718 ( 4.114 -3.191 2.421) 5.742 5.808 ( -5.066 -4.352 -2.417) 7.103 5.808 ( -5.066 -4.352 2.417) 7.103 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.000 12.224 -5.507) 13.407 0.719 ( 0.000 12.224 5.507) 13.407 0.809 ( 0.000 9.626 -4.087) 10.458 0.809 ( 0.000 9.626 4.087) 10.458 1.020 ( 0.000 0.038 -1.146) 1.147 1.020 ( 0.000 0.038 1.146) 1.147 1.122 ( 0.000 5.977 -0.251) 5.983 1.122 ( 0.000 5.977 0.251) 5.983 1.189 ( 0.000 4.183 -1.522) 4.451 1.189 ( 0.000 4.183 1.522) 4.451 1.377 ( 0.000 8.661 -0.594) 8.682 1.377 ( 0.000 8.661 0.594) 8.682 1.575 ( 0.000 4.409 -0.766) 4.475 1.575 ( 0.000 4.409 0.766) 4.475 1.636 ( 0.000 3.776 -0.033) 3.776 1.636 ( 0.000 3.776 0.033) 3.776 1.795 ( 0.000 5.967 -1.940) 6.275 1.795 ( 0.000 5.967 1.940) 6.275 2.100 ( 0.000 11.461 -1.102) 11.514 2.100 ( 0.000 11.461 1.102) 11.514 2.191 ( 0.000 8.720 -2.345) 9.030 2.191 ( 0.000 8.720 2.345) 9.030 2.357 ( 0.000 0.881 -1.048) 1.370 2.357 ( 0.000 0.881 1.048) 1.370 2.410 ( 0.000 2.774 -1.422) 3.118 2.410 ( 0.000 2.774 1.422) 3.118 2.455 ( 0.000 -0.331 -0.042) 0.333 2.455 ( 0.000 -0.331 0.042) 0.333 2.491 ( 0.000 3.942 -0.523) 3.977 2.491 ( 0.000 3.942 0.523) 3.977 2.604 ( 0.000 -0.362 -4.048) 4.064 2.604 ( 0.000 -0.362 4.048) 4.064 2.704 ( 0.000 -0.937 -2.571) 2.737 2.704 ( 0.000 -0.937 2.571) 2.737 3.538 ( 0.000 -3.196 -1.615) 3.581 3.538 ( 0.000 -3.196 1.615) 3.581 3.893 ( 0.000 -0.111 -1.502) 1.506 3.893 ( 0.000 -0.111 1.502) 1.506 4.015 ( 0.000 7.900 -2.523) 8.293 4.015 ( 0.000 7.900 2.523) 8.293 4.104 ( 0.000 3.409 -0.562) 3.455 4.104 ( 0.000 3.409 0.562) 3.455 4.174 ( 0.000 2.192 -0.575) 2.266 4.174 ( 0.000 2.192 0.575) 2.266 4.268 ( 0.000 4.486 -0.277) 4.495 4.268 ( 0.000 4.486 0.277) 4.495 4.318 ( 0.000 4.411 -3.386) 5.561 4.318 ( 0.000 4.411 3.386) 5.561 4.461 ( 0.000 -1.269 -0.661) 1.431 4.461 ( 0.000 -1.269 0.661) 1.431 4.592 ( 0.000 0.841 -4.064) 4.151 4.592 ( 0.000 0.841 4.064) 4.151 4.650 ( 0.000 4.293 -0.874) 4.381 4.650 ( 0.000 4.293 0.874) 4.381 4.814 ( 0.000 -2.727 -0.965) 2.893 4.814 ( 0.000 -2.727 0.965) 2.893 4.859 ( 0.000 0.023 -0.491) 0.492 4.859 ( 0.000 0.023 0.491) 0.492 4.997 ( 0.000 -0.497 -0.206) 0.538 4.997 ( 0.000 -0.497 0.206) 0.538 5.045 ( 0.000 -3.334 -3.126) 4.570 5.045 ( 0.000 -3.334 3.126) 4.570 5.232 ( 0.000 -1.391 -0.752) 1.581 5.232 ( 0.000 -1.391 0.752) 1.581 5.296 ( 0.000 1.440 -0.942) 1.721 5.296 ( 0.000 1.440 0.942) 1.721 5.427 ( 0.000 -1.514 -0.089) 1.517 5.427 ( 0.000 -1.514 0.089) 1.517 5.579 ( 0.000 -2.614 -1.199) 2.876 5.579 ( 0.000 -2.614 1.199) 2.876 5.799 ( 0.000 -6.115 -1.576) 6.314 5.799 ( 0.000 -6.115 1.576) 6.314 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.262 11.861 -3.630) 12.468 0.737 ( 1.262 11.861 3.630) 12.468 0.865 ( 2.351 7.221 -2.944) 8.144 0.865 ( 2.351 7.221 2.944) 8.144 1.026 ( 1.007 2.092 -0.764) 2.444 1.026 ( 1.007 2.092 0.764) 2.444 1.168 ( 3.392 6.237 -2.195) 7.432 1.168 ( 3.392 6.237 2.195) 7.432 1.238 ( 4.452 3.658 -4.028) 7.031 1.238 ( 4.452 3.658 4.028) 7.031 1.420 ( 3.035 6.810 -1.159) 7.545 1.420 ( 3.035 6.810 1.159) 7.545 1.562 ( 0.225 5.268 -3.830) 6.518 1.562 ( 0.225 5.268 3.830) 6.518 1.650 ( 1.804 1.251 -3.268) 3.937 1.650 ( 1.804 1.251 3.268) 3.937 1.809 ( 3.067 8.027 -3.228) 9.179 1.809 ( 3.067 8.027 3.228) 9.179 2.092 ( -0.692 10.894 -1.811) 11.065 2.092 ( -0.692 10.894 1.811) 11.065 2.196 ( 0.660 8.828 -1.178) 8.931 2.196 ( 0.660 8.828 1.178) 8.931 2.345 ( -1.168 1.305 -0.720) 1.894 2.345 ( -1.168 1.305 0.720) 1.894 2.390 ( -1.234 1.172 -2.198) 2.780 2.390 ( -1.234 1.172 2.198) 2.780 2.463 ( -0.063 3.991 -1.798) 4.378 2.463 ( -0.063 3.991 1.798) 4.378 2.521 ( 2.433 3.376 -0.710) 4.222 2.521 ( 2.433 3.376 0.710) 4.222 2.623 ( 1.808 -2.076 -3.662) 4.581 2.623 ( 1.808 -2.076 3.662) 4.581 2.712 ( 1.167 -0.899 -2.324) 2.752 2.712 ( 1.167 -0.899 2.324) 2.752 3.393 ( -14.227 -2.938 -1.662) 14.622 3.393 ( -14.227 -2.938 1.662) 14.622 3.909 ( 1.455 0.694 -1.213) 2.018 3.909 ( 1.455 0.694 1.213) 2.018 3.996 ( -1.634 6.489 -2.666) 7.203 3.996 ( -1.634 6.489 2.666) 7.203 4.100 ( -0.412 4.040 -0.735) 4.127 4.100 ( -0.412 4.040 0.735) 4.127 4.143 ( -2.402 3.180 -1.097) 4.133 4.143 ( -2.402 3.180 1.097) 4.133 4.282 ( 1.843 4.034 -0.509) 4.464 4.282 ( 1.843 4.034 0.509) 4.464 4.359 ( 2.684 2.416 -2.391) 4.331 4.359 ( 2.684 2.416 2.391) 4.331 4.452 ( -0.738 -0.939 -0.968) 1.537 4.452 ( -0.738 -0.939 0.968) 1.537 4.576 ( -1.587 0.144 -3.902) 4.215 4.576 ( -1.587 0.144 3.902) 4.215 4.657 ( 0.807 4.234 -0.721) 4.371 4.657 ( 0.807 4.234 0.721) 4.371 4.804 ( -0.898 -0.529 -0.862) 1.353 4.804 ( -0.898 -0.529 0.862) 1.353 4.850 ( -2.464 -0.823 -0.553) 2.656 4.850 ( -2.464 -0.823 0.553) 2.656 4.895 ( -3.172 0.645 -0.902) 3.361 4.895 ( -3.172 0.645 0.902) 3.361 5.126 ( 1.834 -2.324 -1.226) 3.204 5.126 ( 1.834 -2.324 1.226) 3.204 5.267 ( 2.491 -1.398 -1.633) 3.291 5.267 ( 2.491 -1.398 1.633) 3.291 5.324 ( 4.035 -0.140 -0.894) 4.135 5.324 ( 4.035 -0.140 0.894) 4.135 5.463 ( 3.163 -2.356 -0.293) 3.955 5.463 ( 3.163 -2.356 0.293) 3.955 5.594 ( 1.496 -3.085 -1.323) 3.675 5.594 ( 1.496 -3.085 1.323) 3.675 5.774 ( -2.354 -5.265 -1.493) 5.957 5.774 ( -2.354 -5.265 1.493) 5.957 ======================= Grid point 154 (51/63) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.129 11.554 -0.710) 11.577 0.746 ( -0.129 11.554 0.710) 11.577 0.881 ( 0.165 7.375 -1.040) 7.450 0.881 ( 0.165 7.375 1.040) 7.450 1.061 ( 1.948 2.849 -0.594) 3.502 1.061 ( 1.948 2.849 0.594) 3.502 1.190 ( -0.546 6.694 -0.824) 6.767 1.190 ( -0.546 6.694 0.824) 6.767 1.325 ( 4.421 2.648 -4.922) 7.126 1.325 ( 4.421 2.648 4.922) 7.126 1.403 ( -3.482 4.453 -4.156) 7.016 1.403 ( -3.482 4.453 4.156) 7.016 1.602 ( 2.120 5.669 -0.082) 6.053 1.602 ( 2.120 5.669 0.082) 6.053 1.661 ( -1.153 1.171 -2.357) 2.874 1.661 ( -1.153 1.171 2.357) 2.874 1.980 ( 10.416 10.143 -3.781) 15.022 1.980 ( 10.416 10.143 3.781) 15.022 2.079 ( -0.864 9.543 -2.020) 9.793 2.079 ( -0.864 9.543 2.020) 9.793 2.227 ( 3.464 4.346 -1.009) 5.649 2.227 ( 3.464 4.346 1.009) 5.649 2.321 ( -2.423 0.087 -1.067) 2.649 2.321 ( -2.423 0.087 1.067) 2.649 2.374 ( 0.735 5.320 -1.732) 5.643 2.374 ( 0.735 5.320 1.732) 5.643 2.431 ( -3.133 7.498 -2.617) 8.538 2.431 ( -3.133 7.498 2.617) 8.538 2.570 ( 2.029 1.492 -0.738) 2.624 2.570 ( 2.029 1.492 0.738) 2.624 2.645 ( 0.126 -0.619 -1.728) 1.840 2.645 ( 0.126 -0.619 1.728) 1.840 2.791 ( 8.601 -2.479 -2.023) 9.177 2.791 ( 8.601 -2.479 2.023) 9.177 3.061 ( -18.207 -2.818 -1.855) 18.516 3.061 ( -18.207 -2.818 1.855) 18.516 3.934 ( 0.817 4.116 -0.937) 4.300 3.934 ( 0.817 4.116 0.937) 4.300 3.968 ( -0.937 3.205 -1.821) 3.803 3.968 ( -0.937 3.205 1.821) 3.803 4.093 ( -0.096 3.465 -0.764) 3.550 4.093 ( -0.096 3.465 0.764) 3.550 4.109 ( -1.029 4.089 -0.684) 4.272 4.109 ( -1.029 4.089 0.684) 4.272 4.323 ( 1.933 3.191 -0.488) 3.763 4.323 ( 1.933 3.191 0.488) 3.763 4.381 ( -0.506 0.917 -0.758) 1.293 4.381 ( -0.506 0.917 0.758) 1.293 4.454 ( 1.065 -0.664 -1.509) 1.963 4.454 ( 1.065 -0.664 1.509) 1.963 4.542 ( -1.534 -0.381 -2.388) 2.863 4.542 ( -1.534 -0.381 2.388) 2.863 4.684 ( 1.918 3.612 -0.498) 4.120 4.684 ( 1.918 3.612 0.498) 4.120 4.760 ( -3.643 2.942 -0.236) 4.689 4.760 ( -3.643 2.942 0.236) 4.689 4.800 ( -0.624 0.811 -0.065) 1.025 4.800 ( -0.624 0.811 0.065) 1.025 4.886 ( 0.223 -1.612 -0.206) 1.640 4.886 ( 0.223 -1.612 0.206) 1.640 5.132 ( -0.177 -1.273 -0.309) 1.321 5.132 ( -0.177 -1.273 0.309) 1.321 5.282 ( 0.005 0.407 -0.170) 0.441 5.282 ( 0.005 0.407 0.170) 0.441 5.425 ( 3.943 -2.265 -1.088) 4.675 5.425 ( 3.943 -2.265 1.088) 4.675 5.513 ( 1.445 -4.123 -0.381) 4.385 5.513 ( 1.445 -4.123 0.381) 4.385 5.629 ( 1.696 -4.673 -0.978) 5.067 5.629 ( 1.696 -4.673 0.978) 5.067 5.725 ( -2.203 -3.145 -0.897) 3.943 5.725 ( -2.203 -3.145 0.897) 3.943 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 3.892 -1.592) 4.205 0.963 ( 0.000 3.892 1.592) 4.205 0.984 ( 0.000 6.820 -0.414) 6.833 0.984 ( 0.000 6.820 0.414) 6.833 1.098 ( 0.000 11.528 -1.445) 11.618 1.098 ( 0.000 11.528 1.445) 11.618 1.248 ( 0.000 2.881 -0.861) 3.007 1.248 ( 0.000 2.881 0.861) 3.007 1.257 ( 0.000 6.659 -1.020) 6.737 1.257 ( 0.000 6.659 1.020) 6.737 1.521 ( 0.000 1.029 -0.763) 1.281 1.521 ( 0.000 1.029 0.763) 1.281 1.602 ( 0.000 3.384 -0.134) 3.386 1.602 ( 0.000 3.384 0.134) 3.386 1.739 ( 0.000 4.351 -1.815) 4.714 1.739 ( 0.000 4.351 1.815) 4.714 1.880 ( 0.000 2.629 -0.264) 2.642 1.880 ( 0.000 2.629 0.264) 2.642 2.229 ( 0.000 -2.936 -1.741) 3.413 2.229 ( 0.000 -2.936 1.741) 3.413 2.332 ( 0.000 0.176 -0.811) 0.830 2.332 ( 0.000 0.176 0.811) 0.830 2.379 ( 0.000 3.623 -1.205) 3.819 2.379 ( 0.000 3.623 1.205) 3.819 2.469 ( 0.000 2.307 -0.899) 2.476 2.469 ( 0.000 2.307 0.899) 2.476 2.520 ( 0.000 8.769 -2.979) 9.262 2.520 ( 0.000 8.769 2.979) 9.262 2.591 ( 0.000 6.489 -0.636) 6.520 2.591 ( 0.000 6.489 0.636) 6.520 2.667 ( 0.000 5.121 -0.112) 5.122 2.667 ( 0.000 5.121 0.112) 5.122 2.770 ( 0.000 8.931 -1.442) 9.046 2.770 ( 0.000 8.931 1.442) 9.046 3.472 ( 0.000 -3.046 -0.012) 3.046 3.472 ( 0.000 -3.046 0.012) 3.046 3.918 ( 0.000 2.592 -2.172) 3.381 3.918 ( 0.000 2.592 2.172) 3.381 4.129 ( 0.000 -0.550 -1.845) 1.925 4.129 ( 0.000 -0.550 1.845) 1.925 4.152 ( 0.000 4.662 -1.730) 4.973 4.152 ( 0.000 4.662 1.730) 4.973 4.213 ( 0.000 1.480 -0.731) 1.650 4.213 ( 0.000 1.480 0.731) 1.650 4.293 ( 0.000 -3.919 -0.677) 3.977 4.293 ( 0.000 -3.919 0.677) 3.977 4.363 ( 0.000 -0.627 -1.416) 1.549 4.363 ( 0.000 -0.627 1.416) 1.549 4.426 ( 0.000 1.182 -1.716) 2.084 4.426 ( 0.000 1.182 1.716) 2.084 4.580 ( 0.000 -0.707 -7.187) 7.222 4.580 ( 0.000 -0.707 7.187) 7.222 4.725 ( 0.000 2.924 -0.844) 3.043 4.725 ( 0.000 2.924 0.844) 3.043 4.815 ( 0.000 2.466 -1.964) 3.152 4.815 ( 0.000 2.466 1.964) 3.152 4.874 ( 0.000 0.329 -0.604) 0.688 4.874 ( 0.000 0.329 0.604) 0.688 4.992 ( 0.000 0.962 -0.191) 0.981 4.992 ( 0.000 0.962 0.191) 0.981 5.017 ( 0.000 0.116 -0.440) 0.455 5.017 ( 0.000 0.116 0.440) 0.455 5.200 ( 0.000 -1.438 -0.225) 1.456 5.200 ( 0.000 -1.438 0.225) 1.456 5.318 ( 0.000 0.179 -1.384) 1.396 5.318 ( 0.000 0.179 1.384) 1.396 5.390 ( 0.000 -2.066 -0.513) 2.129 5.390 ( 0.000 -2.066 0.513) 2.129 5.543 ( 0.000 -0.481 -0.457) 0.663 5.543 ( 0.000 -0.481 0.457) 0.663 5.702 ( 0.000 -3.299 -0.764) 3.387 5.702 ( 0.000 -3.299 0.764) 3.387 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.184 3.934 -0.736) 4.007 0.968 ( -0.184 3.934 0.736) 4.007 1.000 ( 1.153 6.172 -1.295) 6.411 1.000 ( 1.153 6.172 1.295) 6.411 1.118 ( 1.803 9.433 -1.373) 9.701 1.118 ( 1.803 9.433 1.373) 9.701 1.252 ( 0.729 2.567 -0.050) 2.669 1.252 ( 0.729 2.567 0.050) 2.669 1.342 ( 5.308 6.585 -2.330) 8.773 1.342 ( 5.308 6.585 2.330) 8.773 1.542 ( -0.210 0.512 -3.187) 3.234 1.542 ( -0.210 0.512 3.187) 3.234 1.605 ( 3.696 4.512 -3.499) 6.801 1.605 ( 3.696 4.512 3.499) 6.801 1.739 ( 0.122 4.560 -1.379) 4.766 1.739 ( 0.122 4.560 1.379) 4.766 1.923 ( 5.599 3.535 -0.838) 6.675 1.923 ( 5.599 3.535 0.838) 6.675 2.220 ( -0.595 -1.624 -1.854) 2.536 2.220 ( -0.595 -1.624 1.854) 2.536 2.314 ( -1.943 0.351 -0.795) 2.129 2.314 ( -1.943 0.351 0.795) 2.129 2.386 ( -0.624 0.088 -2.025) 2.121 2.386 ( -0.624 0.088 2.025) 2.121 2.455 ( 1.317 8.533 -1.229) 8.721 2.455 ( 1.317 8.533 1.229) 8.721 2.560 ( 2.443 5.512 -1.004) 6.113 2.560 ( 2.443 5.512 1.004) 6.113 2.619 ( 2.660 5.192 -1.000) 5.919 2.619 ( 2.660 5.192 1.000) 5.919 2.661 ( -0.547 5.788 -0.452) 5.832 2.661 ( -0.547 5.788 0.452) 5.832 2.765 ( -0.406 8.068 -1.402) 8.199 2.765 ( -0.406 8.068 1.402) 8.199 3.331 ( -13.881 -2.907 -0.445) 14.189 3.331 ( -13.881 -2.907 0.445) 14.189 3.936 ( 1.764 2.272 -1.756) 3.370 3.936 ( 1.764 2.272 1.756) 3.370 4.095 ( -2.590 2.681 -3.483) 5.102 4.095 ( -2.590 2.681 3.483) 5.102 4.142 ( -1.345 -0.157 -1.481) 2.007 4.142 ( -1.345 -0.157 1.481) 2.007 4.191 ( -1.617 1.690 -1.434) 2.744 4.191 ( -1.617 1.690 1.434) 2.744 4.312 ( 1.659 -2.747 -0.603) 3.265 4.312 ( 1.659 -2.747 0.603) 3.265 4.374 ( 0.784 -0.295 -1.335) 1.576 4.374 ( 0.784 -0.295 1.335) 1.576 4.444 ( 1.658 1.985 -1.189) 2.846 4.444 ( 1.658 1.985 1.189) 2.846 4.565 ( -1.338 -0.313 -5.812) 5.972 4.565 ( -1.338 -0.313 5.812) 5.972 4.727 ( 0.264 2.493 -0.833) 2.642 4.727 ( 0.264 2.493 0.833) 2.642 4.822 ( 0.567 1.953 -2.367) 3.121 4.822 ( 0.567 1.953 2.367) 3.121 4.848 ( -2.269 0.481 -0.324) 2.342 4.848 ( -2.269 0.481 0.324) 2.342 4.936 ( -2.339 2.818 -1.506) 3.960 4.936 ( -2.339 2.818 1.506) 3.960 5.097 ( 3.278 -0.391 -1.148) 3.495 5.097 ( 3.278 -0.391 1.148) 3.495 5.219 ( 2.649 -2.328 -1.074) 3.686 5.219 ( 2.649 -2.328 1.074) 3.686 5.333 ( 1.391 -0.258 -1.630) 2.159 5.333 ( 1.391 -0.258 1.630) 2.159 5.418 ( 2.437 -1.830 -0.530) 3.093 5.418 ( 2.437 -1.830 0.530) 3.093 5.548 ( 0.454 -0.920 -0.452) 1.121 5.548 ( 0.454 -0.920 0.452) 1.121 5.692 ( -0.931 -2.783 -0.640) 3.003 5.692 ( -0.931 -2.783 0.640) 3.003 ======================= Grid point 164 (54/63) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -0.472 5.838 -0.275) 5.864 0.958 ( -0.472 5.838 0.275) 5.864 1.016 ( 0.422 4.369 -0.841) 4.470 1.016 ( 0.422 4.369 0.841) 4.470 1.152 ( 1.362 6.722 -0.417) 6.871 1.152 ( 1.362 6.722 0.417) 6.871 1.263 ( 0.248 1.783 -0.065) 1.801 1.263 ( 0.248 1.783 0.065) 1.801 1.399 ( 1.575 5.392 -2.279) 6.062 1.399 ( 1.575 5.392 2.279) 6.062 1.496 ( -2.571 3.200 -2.794) 4.965 1.496 ( -2.571 3.200 2.794) 4.965 1.701 ( 3.243 4.130 -2.374) 5.763 1.701 ( 3.243 4.130 2.374) 5.763 1.736 ( -0.770 4.303 -2.879) 5.235 1.736 ( -0.770 4.303 2.879) 5.235 2.119 ( 11.186 3.588 -1.036) 11.793 2.119 ( 11.186 3.588 1.036) 11.793 2.220 ( 0.945 1.844 -1.316) 2.454 2.220 ( 0.945 1.844 1.316) 2.454 2.274 ( -1.186 -1.011 -0.776) 1.741 2.274 ( -1.186 -1.011 0.776) 1.741 2.339 ( -4.377 1.202 -1.942) 4.937 2.339 ( -4.377 1.202 1.942) 4.937 2.516 ( 3.224 9.733 -0.447) 10.263 2.516 ( 3.224 9.733 0.447) 10.263 2.599 ( 1.313 7.062 -0.796) 7.227 2.599 ( 1.313 7.062 0.796) 7.227 2.647 ( 0.023 6.614 -0.272) 6.620 2.647 ( 0.023 6.614 0.272) 6.620 2.700 ( 5.330 3.435 -0.447) 6.357 2.700 ( 5.330 3.435 0.447) 6.357 2.766 ( 2.072 3.444 -1.100) 4.167 2.766 ( 2.072 3.444 1.100) 4.167 3.001 ( -18.519 -2.966 -0.804) 18.772 3.001 ( -18.519 -2.966 0.804) 18.772 3.976 ( 1.937 1.486 -0.512) 2.494 3.976 ( 1.937 1.486 0.512) 2.494 4.048 ( -2.012 3.759 -1.770) 4.616 4.048 ( -2.012 3.759 1.770) 4.616 4.116 ( -0.895 -1.115 -0.323) 1.465 4.116 ( -0.895 -1.115 0.323) 1.465 4.167 ( -0.744 0.789 -0.790) 1.342 4.167 ( -0.744 0.789 0.790) 1.342 4.344 ( 1.383 -1.537 -0.193) 2.076 4.344 ( 1.383 -1.537 0.193) 2.076 4.378 ( -0.393 0.175 -1.029) 1.115 4.378 ( -0.393 0.175 1.029) 1.115 4.479 ( 1.544 2.277 -0.960) 2.914 4.479 ( 1.544 2.277 0.960) 2.914 4.539 ( -1.177 0.511 -2.781) 3.062 4.539 ( -1.177 0.511 2.781) 3.062 4.739 ( 1.007 1.623 -0.584) 1.997 4.739 ( 1.007 1.623 0.584) 1.997 4.792 ( -2.308 0.618 -0.451) 2.432 4.792 ( -2.308 0.618 0.451) 2.432 4.847 ( 1.034 3.014 -1.653) 3.589 4.847 ( 1.034 3.014 1.653) 3.589 4.901 ( -1.352 2.710 -1.685) 3.465 4.901 ( -1.352 2.710 1.685) 3.465 5.122 ( 0.224 0.242 -0.253) 0.415 5.122 ( 0.224 0.242 0.253) 0.415 5.264 ( 0.902 -2.183 -0.509) 2.416 5.264 ( 0.902 -2.183 0.509) 2.416 5.391 ( 4.206 -1.435 -1.531) 4.700 5.391 ( 4.206 -1.435 1.531) 4.700 5.445 ( -0.420 -2.073 -0.926) 2.309 5.445 ( -0.420 -2.073 0.926) 2.309 5.556 ( 0.230 -1.816 -0.241) 1.847 5.556 ( 0.230 -1.816 0.241) 1.847 5.675 ( -0.581 -1.803 -0.288) 1.916 5.675 ( -0.581 -1.803 0.288) 1.916 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 -1.658 -0.610) 1.767 0.968 ( 0.000 -1.658 0.610) 1.767 1.049 ( 0.000 0.327 -1.301) 1.342 1.049 ( 0.000 0.327 1.301) 1.342 1.272 ( 0.000 0.906 -1.410) 1.676 1.272 ( 0.000 0.906 1.410) 1.676 1.322 ( 0.000 1.770 -1.389) 2.250 1.322 ( 0.000 1.770 1.389) 2.250 1.416 ( 0.000 7.448 -1.194) 7.543 1.416 ( 0.000 7.448 1.194) 7.543 1.518 ( 0.000 3.785 -5.555) 6.722 1.518 ( 0.000 3.785 5.555) 6.722 1.665 ( 0.000 1.920 -0.722) 2.052 1.665 ( 0.000 1.920 0.722) 2.052 1.828 ( 0.000 4.161 -2.245) 4.728 1.828 ( 0.000 4.161 2.245) 4.728 1.929 ( 0.000 2.254 -0.075) 2.255 1.929 ( 0.000 2.254 0.075) 2.255 2.094 ( 0.000 -7.288 -0.559) 7.309 2.094 ( 0.000 -7.288 0.559) 7.309 2.315 ( 0.000 -1.676 -0.987) 1.945 2.315 ( 0.000 -1.676 0.987) 1.945 2.377 ( 0.000 -2.035 -1.225) 2.375 2.377 ( 0.000 -2.035 1.225) 2.375 2.473 ( 0.000 -0.891 -0.199) 0.913 2.473 ( 0.000 -0.891 0.199) 0.913 2.723 ( 0.000 5.515 -1.589) 5.739 2.723 ( 0.000 5.515 1.589) 5.739 2.755 ( 0.000 9.498 -0.154) 9.499 2.755 ( 0.000 9.498 0.154) 9.499 2.800 ( 0.000 8.241 -1.625) 8.400 2.800 ( 0.000 8.241 1.625) 8.400 3.018 ( 0.000 11.661 -1.285) 11.732 3.018 ( 0.000 11.661 1.285) 11.732 3.421 ( 0.000 -1.519 -0.846) 1.739 3.421 ( 0.000 -1.519 0.846) 1.739 3.985 ( 0.000 2.778 -1.518) 3.165 3.985 ( 0.000 2.778 1.518) 3.165 4.069 ( 0.000 -4.396 -1.005) 4.509 4.069 ( 0.000 -4.396 1.005) 4.509 4.198 ( 0.000 -0.187 -1.252) 1.266 4.198 ( 0.000 -0.187 1.252) 1.266 4.201 ( 0.000 0.489 -0.319) 0.584 4.201 ( 0.000 0.489 0.319) 0.584 4.278 ( 0.000 2.670 -2.646) 3.759 4.278 ( 0.000 2.670 2.646) 3.759 4.339 ( 0.000 0.170 -1.105) 1.118 4.339 ( 0.000 0.170 1.105) 1.118 4.489 ( 0.000 2.687 -1.488) 3.072 4.489 ( 0.000 2.687 1.488) 3.072 4.572 ( 0.000 -0.561 -4.760) 4.793 4.572 ( 0.000 -0.561 4.760) 4.793 4.774 ( 0.000 1.788 -1.188) 2.146 4.774 ( 0.000 1.788 1.188) 2.146 4.851 ( 0.000 0.087 -1.852) 1.854 4.851 ( 0.000 0.087 1.852) 1.854 4.882 ( 0.000 1.551 -0.332) 1.586 4.882 ( 0.000 1.551 0.332) 1.586 5.021 ( 0.000 0.028 -1.136) 1.136 5.021 ( 0.000 0.028 1.136) 1.136 5.035 ( 0.000 2.210 -0.123) 2.214 5.035 ( 0.000 2.210 0.123) 2.214 5.175 ( 0.000 -1.048 -0.927) 1.399 5.175 ( 0.000 -1.048 0.927) 1.399 5.292 ( 0.000 -2.733 -1.508) 3.121 5.292 ( 0.000 -2.733 1.508) 3.121 5.355 ( 0.000 -0.984 -0.291) 1.026 5.355 ( 0.000 -0.984 0.291) 1.026 5.554 ( 0.000 1.087 -0.026) 1.087 5.554 ( 0.000 1.087 0.026) 1.087 5.653 ( 0.000 -1.607 -1.826) 2.432 5.653 ( 0.000 -1.607 1.826) 2.432 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.842 -1.469 -0.619) 1.803 0.977 ( 0.842 -1.469 0.619) 1.803 1.052 ( -0.042 -0.190 -1.123) 1.140 1.052 ( -0.042 -0.190 1.123) 1.140 1.268 ( -0.481 1.211 -1.005) 1.646 1.268 ( -0.481 1.211 1.005) 1.646 1.307 ( -1.023 0.738 -0.892) 1.545 1.307 ( -1.023 0.738 0.892) 1.545 1.490 ( 3.047 7.884 -2.957) 8.955 1.490 ( 3.047 7.884 2.957) 8.955 1.551 ( 3.423 2.807 -4.890) 6.596 1.551 ( 3.423 2.807 4.890) 6.596 1.694 ( 4.331 3.389 -2.895) 6.215 1.694 ( 4.331 3.389 2.895) 6.215 1.824 ( -0.361 3.731 -3.019) 4.813 1.824 ( -0.361 3.731 3.019) 4.813 1.975 ( 5.725 1.451 -0.789) 5.958 1.975 ( 5.725 1.451 0.789) 5.958 2.117 ( 2.717 -5.676 -0.907) 6.357 2.117 ( 2.717 -5.676 0.907) 6.357 2.288 ( -3.093 -2.606 -0.875) 4.138 2.288 ( -3.093 -2.606 0.875) 4.138 2.362 ( -0.666 -1.317 -2.085) 2.554 2.362 ( -0.666 -1.317 2.085) 2.554 2.497 ( 2.404 -1.821 -0.475) 3.053 2.497 ( 2.404 -1.821 0.475) 3.053 2.731 ( 0.554 5.417 -2.016) 5.807 2.731 ( 0.554 5.417 2.016) 5.807 2.755 ( -0.075 8.484 -0.706) 8.514 2.755 ( -0.075 8.484 0.706) 8.514 2.823 ( 2.390 9.653 -2.164) 10.177 2.823 ( 2.390 9.653 2.164) 10.177 2.998 ( -2.008 11.004 -1.695) 11.313 2.998 ( -2.008 11.004 1.695) 11.313 3.284 ( -13.529 -1.044 -0.882) 13.598 3.284 ( -13.529 -1.044 0.882) 13.598 3.991 ( 0.505 1.969 -1.171) 2.346 3.991 ( 0.505 1.969 1.171) 2.346 4.064 ( -0.421 -3.883 -0.950) 4.020 4.064 ( -0.421 -3.883 0.950) 4.020 4.161 ( -1.987 2.259 -2.101) 3.670 4.161 ( -1.987 2.259 2.101) 3.670 4.195 ( -1.299 0.551 -2.090) 2.522 4.195 ( -1.299 0.551 2.090) 2.522 4.297 ( 2.017 1.541 -1.579) 2.989 4.297 ( 2.017 1.541 1.579) 2.989 4.366 ( 1.594 0.028 -1.175) 1.981 4.366 ( 1.594 0.028 1.175) 1.981 4.498 ( 0.801 1.906 -1.149) 2.365 4.498 ( 0.801 1.906 1.149) 2.365 4.563 ( -0.717 -0.228 -3.476) 3.557 4.563 ( -0.717 -0.228 3.476) 3.557 4.768 ( -0.454 1.518 -1.192) 1.983 4.768 ( -0.454 1.518 1.192) 1.983 4.833 ( -1.660 -0.204 -1.302) 2.120 4.833 ( -1.660 -0.204 1.302) 2.120 4.884 ( 0.529 2.144 -1.312) 2.569 4.884 ( 0.529 2.144 1.312) 2.569 4.992 ( -1.539 2.138 -1.983) 3.298 4.992 ( -1.539 2.138 1.983) 3.298 5.099 ( 3.668 0.260 -1.402) 3.935 5.099 ( 3.668 0.260 1.402) 3.935 5.179 ( 1.022 -1.588 -0.574) 1.974 5.179 ( 1.022 -1.588 0.574) 1.974 5.300 ( 1.146 -2.616 -1.380) 3.172 5.300 ( 1.146 -2.616 1.380) 3.172 5.391 ( 2.766 -0.835 -0.113) 2.892 5.391 ( 2.766 -0.835 0.113) 2.892 5.554 ( 0.022 1.080 -0.152) 1.091 5.554 ( 0.022 1.080 0.152) 1.091 5.649 ( -0.297 -1.446 -1.504) 2.107 5.649 ( -0.297 -1.446 1.504) 2.107 ======================= Grid point 174 (57/63) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.886 -0.719 -0.335) 1.189 0.995 ( 0.886 -0.719 0.335) 1.189 1.044 ( -0.566 -0.931 -0.488) 1.194 1.044 ( -0.566 -0.931 0.488) 1.194 1.256 ( -0.485 1.174 -0.262) 1.297 1.256 ( -0.485 1.174 0.262) 1.297 1.292 ( -0.399 -0.256 -0.271) 0.546 1.292 ( -0.399 -0.256 0.271) 0.546 1.518 ( 0.686 5.983 -1.807) 6.288 1.518 ( 0.686 5.983 1.807) 6.288 1.575 ( -0.099 4.973 -1.806) 5.292 1.575 ( -0.099 4.973 1.806) 5.292 1.781 ( 2.783 3.560 -3.347) 5.623 1.781 ( 2.783 3.560 3.347) 5.623 1.813 ( -0.815 3.403 -3.570) 4.999 1.813 ( -0.815 3.403 3.570) 4.999 2.116 ( 5.749 -4.607 -0.782) 7.409 2.116 ( 5.749 -4.607 0.782) 7.409 2.208 ( -4.116 -4.530 -0.424) 6.135 2.208 ( -4.116 -4.530 0.424) 6.135 2.235 ( 8.081 2.100 -0.444) 8.361 2.235 ( 8.081 2.100 0.444) 8.361 2.349 ( -1.289 0.723 -1.428) 2.055 2.349 ( -1.289 0.723 1.428) 2.055 2.598 ( 10.229 -3.460 -0.805) 10.828 2.598 ( 10.229 -3.460 0.805) 10.828 2.739 ( 0.047 7.311 -1.247) 7.417 2.739 ( 0.047 7.311 1.247) 7.417 2.752 ( 0.021 5.439 -1.227) 5.575 2.752 ( 0.021 5.439 1.227) 5.575 2.871 ( -1.026 8.679 -0.988) 8.795 2.871 ( -1.026 8.679 0.988) 8.795 2.926 ( -7.319 3.407 -2.724) 8.520 2.926 ( -7.319 3.407 2.724) 8.520 2.986 ( -10.390 8.441 -2.223) 13.570 2.986 ( -10.390 8.441 2.223) 13.570 4.000 ( 0.323 0.268 -0.429) 0.600 4.000 ( 0.323 0.268 0.429) 0.600 4.056 ( -0.273 -2.772 -0.464) 2.824 4.056 ( -0.273 -2.772 0.464) 2.824 4.135 ( -0.657 3.949 -1.043) 4.137 4.135 ( -0.657 3.949 1.043) 4.137 4.173 ( -0.728 1.667 -1.315) 2.244 4.173 ( -0.728 1.667 1.315) 2.244 4.339 ( 1.954 0.713 -0.838) 2.243 4.339 ( 1.954 0.713 0.838) 2.243 4.376 ( -0.568 -0.111 -1.285) 1.410 4.376 ( -0.568 -0.111 1.285) 1.410 4.512 ( 0.506 0.528 -0.509) 0.891 4.512 ( 0.506 0.528 0.509) 0.891 4.554 ( -0.198 0.546 -0.903) 1.073 4.554 ( -0.198 0.546 0.903) 1.073 4.763 ( -0.021 0.890 -0.718) 1.144 4.763 ( -0.021 0.890 0.718) 1.144 4.803 ( -1.103 0.473 -0.659) 1.370 4.803 ( -1.103 0.473 0.659) 1.370 4.902 ( 1.050 2.108 -1.734) 2.925 4.902 ( 1.050 2.108 1.734) 2.925 4.961 ( -1.455 2.523 -2.016) 3.542 4.961 ( -1.455 2.523 2.016) 3.542 5.132 ( 0.381 0.428 -0.372) 0.683 5.132 ( 0.381 0.428 0.372) 0.683 5.208 ( 0.917 -2.809 -0.325) 2.973 5.208 ( 0.917 -2.809 0.325) 2.973 5.355 ( 4.137 -1.731 -0.918) 4.578 5.355 ( 4.137 -1.731 0.918) 4.578 5.417 ( -0.762 -1.078 -0.452) 1.395 5.417 ( -0.762 -1.078 0.452) 1.395 5.554 ( -0.025 1.107 -0.110) 1.113 5.554 ( -0.025 1.107 0.110) 1.113 5.645 ( -0.145 -1.189 -0.591) 1.336 5.645 ( -0.145 -1.189 0.591) 1.336 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 -1.670 -0.158) 1.677 0.927 ( 0.000 -1.670 0.158) 1.677 1.019 ( 0.000 -2.624 -1.100) 2.845 1.019 ( 0.000 -2.624 1.100) 2.845 1.227 ( 0.000 -5.014 -2.398) 5.558 1.227 ( 0.000 -5.014 2.398) 5.558 1.269 ( 0.000 -2.534 -0.137) 2.538 1.269 ( 0.000 -2.534 0.137) 2.538 1.529 ( 0.000 3.831 -1.368) 4.068 1.529 ( 0.000 3.831 1.368) 4.068 1.592 ( 0.000 -0.077 -2.963) 2.964 1.592 ( 0.000 -0.077 2.963) 2.964 1.757 ( 0.000 7.119 -0.957) 7.184 1.757 ( 0.000 7.119 0.957) 7.184 1.898 ( 0.000 2.221 -2.793) 3.569 1.898 ( 0.000 2.221 2.793) 3.569 1.972 ( 0.000 0.852 -0.086) 0.857 1.972 ( 0.000 0.852 0.086) 0.857 1.993 ( 0.000 -0.915 -0.616) 1.103 1.993 ( 0.000 -0.915 0.616) 1.103 2.241 ( 0.000 -5.263 -1.232) 5.405 2.241 ( 0.000 -5.263 1.232) 5.405 2.349 ( 0.000 -0.296 -1.040) 1.081 2.349 ( 0.000 -0.296 1.040) 1.081 2.448 ( 0.000 -1.280 -0.481) 1.367 2.448 ( 0.000 -1.280 0.481) 1.367 2.799 ( 0.000 2.297 -2.330) 3.272 2.799 ( 0.000 2.297 2.330) 3.272 2.893 ( 0.000 4.238 -0.866) 4.326 2.893 ( 0.000 4.238 0.866) 4.326 2.985 ( 0.000 7.522 -1.950) 7.771 2.985 ( 0.000 7.522 1.950) 7.771 3.171 ( 0.000 3.193 -0.963) 3.335 3.171 ( 0.000 3.193 0.963) 3.335 3.414 ( 0.000 0.434 -1.012) 1.101 3.414 ( 0.000 0.434 1.012) 1.101 3.950 ( 0.000 -3.012 -0.307) 3.027 3.950 ( 0.000 -3.012 0.307) 3.027 4.081 ( 0.000 2.958 -1.379) 3.263 4.081 ( 0.000 2.958 1.379) 3.263 4.224 ( 0.000 2.065 -0.003) 2.065 4.224 ( 0.000 2.065 0.003) 2.065 4.243 ( 0.000 2.742 -0.612) 2.810 4.243 ( 0.000 2.742 0.612) 2.810 4.313 ( 0.000 0.429 -1.626) 1.681 4.313 ( 0.000 0.429 1.626) 1.681 4.378 ( 0.000 3.665 -1.656) 4.022 4.378 ( 0.000 3.665 1.656) 4.022 4.524 ( 0.000 0.771 -1.164) 1.396 4.524 ( 0.000 0.771 1.164) 1.396 4.546 ( 0.000 -1.993 -1.620) 2.568 4.546 ( 0.000 -1.993 1.620) 2.568 4.803 ( 0.000 1.139 -0.804) 1.394 4.803 ( 0.000 1.139 0.804) 1.394 4.848 ( 0.000 -0.082 -0.820) 0.824 4.848 ( 0.000 -0.082 0.820) 0.824 4.918 ( 0.000 1.593 -0.453) 1.656 4.918 ( 0.000 1.593 0.453) 1.656 5.015 ( 0.000 -0.487 -0.617) 0.786 5.015 ( 0.000 -0.487 0.617) 0.786 5.064 ( 0.000 0.290 -0.342) 0.448 5.064 ( 0.000 0.290 0.342) 0.448 5.155 ( 0.000 -0.779 -1.372) 1.577 5.155 ( 0.000 -0.779 1.372) 1.577 5.222 ( 0.000 -3.446 -0.953) 3.576 5.222 ( 0.000 -3.446 0.953) 3.576 5.343 ( 0.000 -0.339 -0.257) 0.426 5.343 ( 0.000 -0.339 0.257) 0.426 5.576 ( 0.000 0.848 -0.311) 0.903 5.576 ( 0.000 0.848 0.311) 0.903 5.629 ( 0.000 -0.727 -1.489) 1.657 5.629 ( 0.000 -0.727 1.489) 1.657 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.20 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.143 -1.632 -0.233) 2.007 0.938 ( 1.143 -1.632 0.233) 2.007 1.019 ( -0.138 -2.384 -0.914) 2.557 1.019 ( -0.138 -2.384 0.914) 2.557 1.227 ( -0.030 -4.592 -1.909) 4.973 1.227 ( -0.030 -4.592 1.909) 4.973 1.256 ( -1.069 -2.537 -0.276) 2.767 1.256 ( -1.069 -2.537 0.276) 2.767 1.598 ( 2.264 1.995 -2.842) 4.145 1.598 ( 2.264 1.995 2.842) 4.145 1.644 ( 5.861 3.837 -0.873) 7.060 1.644 ( 5.861 3.837 0.873) 7.060 1.774 ( 2.686 4.792 -0.446) 5.512 1.774 ( 2.686 4.792 0.446) 5.512 1.886 ( -0.825 1.723 -2.549) 3.186 1.886 ( -0.825 1.723 2.549) 3.186 1.982 ( 0.811 0.453 -0.575) 1.092 1.982 ( 0.811 0.453 0.575) 1.092 2.054 ( 7.031 -0.925 -0.104) 7.093 2.054 ( 7.031 -0.925 0.104) 7.093 2.210 ( -2.396 -4.423 -0.896) 5.109 2.210 ( -2.396 -4.423 0.896) 5.109 2.349 ( 0.316 0.086 -1.015) 1.066 2.349 ( 0.316 0.086 1.015) 1.066 2.449 ( 0.251 -2.208 -0.345) 2.249 2.449 ( 0.251 -2.208 0.345) 2.249 2.808 ( 0.944 2.441 -2.195) 3.415 2.808 ( 0.944 2.441 2.195) 3.415 2.885 ( -0.865 4.027 -1.172) 4.282 2.885 ( -0.865 4.027 1.172) 4.282 3.019 ( 3.130 7.651 -1.748) 8.449 3.019 ( 3.130 7.651 1.748) 8.449 3.123 ( -6.254 1.370 -0.802) 6.452 3.123 ( -6.254 1.370 0.802) 6.452 3.311 ( -8.813 2.742 -1.300) 9.321 3.311 ( -8.813 2.742 1.300) 9.321 3.960 ( 1.008 -2.461 -0.326) 2.680 3.960 ( 1.008 -2.461 0.326) 2.680 4.067 ( -1.460 2.230 -0.993) 2.844 4.067 ( -1.460 2.230 0.993) 2.844 4.230 ( 0.103 3.593 -1.612) 3.939 4.230 ( 0.103 3.593 1.612) 3.939 4.237 ( 0.062 2.897 -1.191) 3.133 4.237 ( 0.062 2.897 1.191) 3.133 4.323 ( 0.966 0.308 -1.268) 1.623 4.323 ( 0.966 0.308 1.268) 1.623 4.385 ( 0.396 2.197 -1.540) 2.712 4.385 ( 0.396 2.197 1.540) 2.712 4.508 ( -0.913 -1.040 -0.305) 1.417 4.508 ( -0.913 -1.040 0.305) 1.417 4.554 ( 0.218 -0.535 -0.756) 0.952 4.554 ( 0.218 -0.535 0.756) 0.952 4.793 ( -0.803 1.007 -0.954) 1.603 4.793 ( -0.803 1.007 0.954) 1.603 4.831 ( -1.356 -0.058 -0.797) 1.574 4.831 ( -1.356 -0.058 0.797) 1.574 4.923 ( 0.533 1.585 -0.958) 1.928 4.923 ( 0.533 1.585 0.958) 1.928 5.014 ( -0.697 -0.148 -1.189) 1.386 5.014 ( -0.697 -0.148 1.189) 1.386 5.102 ( 3.124 0.005 -0.560) 3.174 5.102 ( 3.124 0.005 0.560) 3.174 5.152 ( -0.046 -0.968 -1.219) 1.557 5.152 ( -0.046 -0.968 1.219) 1.557 5.240 ( 2.450 -2.793 -0.924) 3.828 5.240 ( 2.450 -2.793 0.924) 3.828 5.379 ( 2.629 -0.398 -0.123) 2.662 5.379 ( 2.629 -0.398 0.123) 2.662 5.578 ( 0.160 0.942 -0.367) 1.023 5.578 ( 0.160 0.942 0.367) 1.023 5.627 ( -0.221 -0.771 -1.274) 1.505 5.627 ( -0.221 -0.771 1.274) 1.505 ======================= Grid point 184 (60/63) ======================= q-point: ( 0.40 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 1.584 -1.394 -0.189) 2.119 0.967 ( 1.584 -1.394 0.189) 2.119 1.008 ( -0.974 -2.008 -0.357) 2.260 1.008 ( -0.974 -2.008 0.357) 2.260 1.223 ( -0.352 -3.134 -0.525) 3.197 1.223 ( -0.352 -3.134 0.525) 3.197 1.241 ( -0.320 -3.463 -0.362) 3.497 1.241 ( -0.320 -3.463 0.362) 3.497 1.632 ( 1.251 4.557 -1.318) 4.906 1.632 ( 1.251 4.557 1.318) 4.906 1.687 ( 0.019 5.081 -0.871) 5.155 1.687 ( 0.019 5.081 0.871) 5.155 1.833 ( 1.519 0.867 -1.393) 2.236 1.833 ( 1.519 0.867 1.393) 2.236 1.878 ( -0.011 1.981 -1.763) 2.652 1.878 ( -0.011 1.981 1.763) 2.652 2.011 ( 2.245 -3.334 -0.899) 4.119 2.011 ( 2.245 -3.334 0.899) 4.119 2.098 ( -3.297 -5.132 -0.939) 6.172 2.098 ( -3.297 -5.132 0.939) 6.172 2.306 ( 6.751 4.057 -0.749) 7.912 2.306 ( 6.751 4.057 0.749) 7.912 2.370 ( 2.259 1.073 -0.735) 2.607 2.370 ( 2.259 1.073 0.735) 2.607 2.508 ( 11.023 -4.726 -0.909) 12.028 2.508 ( 11.023 -4.726 0.909) 12.028 2.822 ( -4.141 1.931 -1.044) 4.687 2.822 ( -4.141 1.931 1.044) 4.687 2.854 ( -4.876 2.294 -1.024) 5.485 2.854 ( -4.876 2.294 1.024) 5.485 2.880 ( -10.076 0.034 -0.297) 10.081 2.880 ( -10.076 0.034 0.297) 10.081 3.097 ( 4.108 7.553 -2.583) 8.977 3.097 ( 4.108 7.553 2.583) 8.977 3.181 ( -4.687 6.857 -2.116) 8.571 3.181 ( -4.687 6.857 2.116) 8.571 3.987 ( 1.646 -0.814 -0.257) 1.854 3.987 ( 1.646 -0.814 0.257) 1.854 4.032 ( -1.909 0.370 -0.376) 1.981 4.032 ( -1.909 0.370 0.376) 1.981 4.228 ( -0.056 4.593 -0.795) 4.661 4.228 ( -0.056 4.593 0.795) 4.661 4.244 ( 0.168 4.078 -1.185) 4.250 4.244 ( 0.168 4.078 1.185) 4.250 4.348 ( 1.605 -0.170 -1.009) 1.903 4.348 ( 1.605 -0.170 1.009) 1.903 4.378 ( -1.196 0.327 -1.465) 1.919 4.378 ( -1.196 0.327 1.465) 1.919 4.504 ( 0.390 -0.919 -0.135) 1.007 4.504 ( 0.390 -0.919 0.135) 1.007 4.550 ( -0.415 -0.979 -0.506) 1.178 4.550 ( -0.415 -0.979 0.506) 1.178 4.781 ( -0.346 0.847 -0.600) 1.094 4.781 ( -0.346 0.847 0.600) 1.094 4.810 ( -0.674 0.045 -0.448) 0.810 4.810 ( -0.674 0.045 0.448) 0.810 4.937 ( 0.768 1.504 -1.055) 1.991 4.937 ( 0.768 1.504 1.055) 1.991 4.993 ( -1.034 0.369 -1.301) 1.702 4.993 ( -1.034 0.369 1.301) 1.702 5.134 ( 0.408 -0.234 -0.038) 0.472 5.134 ( 0.408 -0.234 0.038) 0.472 5.156 ( 0.216 -1.980 -0.307) 2.015 5.156 ( 0.216 -1.980 0.307) 2.015 5.325 ( 5.381 -1.077 -0.408) 5.503 5.325 ( 5.381 -1.077 0.408) 5.503 5.398 ( -1.287 -0.633 -0.153) 1.442 5.398 ( -1.287 -0.633 0.153) 1.442 5.581 ( 0.117 1.168 -0.225) 1.195 5.581 ( 0.117 1.168 0.225) 1.195 5.623 ( -0.143 -0.924 -0.540) 1.080 5.623 ( -0.143 -0.924 0.540) 1.080 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 0.000 0.000) 0.000 0.911 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 0.980 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.241 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 -0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.967 ( 0.000 0.000 -0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 0.000) 0.000 2.020 ( 0.000 0.000 -0.000) 0.000 2.159 ( 0.000 0.000 -0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 -0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 2.938 ( 0.000 0.000 -0.000) 0.000 3.068 ( 0.000 0.000 -0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 4.251 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 -0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 -0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 -0.000 -0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 -0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.845 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 -0.000) 0.000 5.057 ( 0.000 0.000 -0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 -0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 -0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 5.622 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 194 (62/63) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 1.124 0.000 0.000) 1.124 0.922 ( 1.124 0.000 0.000) 1.124 0.985 ( 0.352 0.000 0.000) 0.352 0.985 ( 0.352 0.000 0.000) 0.352 1.166 ( 0.569 0.000 0.000) 0.569 1.166 ( 0.569 0.000 0.000) 0.569 1.226 ( -1.346 0.000 0.000) 1.346 1.226 ( -1.346 0.000 0.000) 1.346 1.612 ( 3.192 0.000 0.000) 3.192 1.612 ( 3.192 0.000 0.000) 3.192 1.680 ( 7.689 0.000 -0.000) 7.689 1.680 ( 7.689 0.000 0.000) 7.689 1.848 ( -0.347 0.000 0.000) 0.347 1.848 ( -0.347 0.000 0.000) 0.347 1.893 ( -1.467 0.000 -0.000) 1.467 1.893 ( -1.467 0.000 0.000) 1.467 2.016 ( -0.379 0.000 -0.000) 0.379 2.016 ( -0.379 0.000 0.000) 0.379 2.026 ( 4.388 -0.000 -0.000) 4.388 2.026 ( 4.388 -0.000 0.000) 4.388 2.152 ( 2.531 0.000 -0.000) 2.531 2.152 ( 2.531 0.000 0.000) 2.531 2.354 ( 0.607 0.000 0.000) 0.607 2.354 ( 0.607 0.000 0.000) 0.607 2.422 ( -0.967 0.000 0.000) 0.967 2.422 ( -0.967 0.000 0.000) 0.967 2.834 ( 1.103 0.000 0.000) 1.103 2.834 ( 1.103 0.000 0.000) 1.103 2.927 ( -1.104 0.000 -0.000) 1.104 2.927 ( -1.104 0.000 -0.000) 1.104 3.104 ( 3.381 0.000 -0.000) 3.381 3.104 ( 3.381 0.000 0.000) 3.381 3.126 ( -8.692 0.000 0.000) 8.692 3.126 ( -8.692 0.000 0.000) 8.692 3.343 ( -6.034 0.000 0.000) 6.034 3.343 ( -6.034 0.000 0.000) 6.034 3.935 ( 1.653 0.000 0.000) 1.653 3.935 ( 1.653 0.000 0.000) 1.653 4.095 ( -2.174 0.000 0.000) 2.174 4.095 ( -2.174 0.000 0.000) 2.174 4.266 ( 1.379 0.000 -0.000) 1.379 4.266 ( 1.379 0.000 0.000) 1.379 4.292 ( 1.504 0.000 -0.000) 1.504 4.292 ( 1.504 0.000 0.000) 1.504 4.308 ( -0.281 0.000 -0.000) 0.281 4.308 ( -0.281 0.000 0.000) 0.281 4.448 ( -3.274 0.000 -0.000) 3.274 4.448 ( -3.274 0.000 0.000) 3.274 4.464 ( 0.869 -0.000 -0.000) 0.869 4.464 ( 0.869 0.000 0.000) 0.869 4.547 ( 0.126 0.000 -0.000) 0.126 4.547 ( 0.126 0.000 0.000) 0.126 4.810 ( -0.909 0.000 0.000) 0.909 4.810 ( -0.909 0.000 0.000) 0.909 4.826 ( -1.464 0.000 -0.000) 1.464 4.826 ( -1.464 0.000 0.000) 1.464 4.945 ( 0.718 0.000 0.000) 0.718 4.945 ( 0.718 0.000 0.000) 0.718 5.002 ( -0.694 0.000 -0.000) 0.694 5.002 ( -0.694 0.000 -0.000) 0.694 5.101 ( 2.951 0.000 -0.000) 2.951 5.101 ( 2.951 0.000 -0.000) 2.951 5.142 ( -0.411 0.000 0.000) 0.411 5.142 ( -0.411 0.000 -0.000) 0.411 5.206 ( 3.543 0.000 0.000) 3.543 5.206 ( 3.543 0.000 0.000) 3.543 5.375 ( 2.560 0.000 0.000) 2.560 5.375 ( 2.560 0.000 0.000) 2.560 5.588 ( 0.320 0.000 -0.000) 0.320 5.588 ( 0.320 0.000 0.000) 0.320 5.618 ( -0.353 0.000 0.000) 0.353 5.618 ( -0.353 0.000 0.000) 0.353 ======================= Grid point 198 (63/63) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 1.94e-05 1.94e-05 1.94e-05 1.94e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.881 0.000 0.000) 1.881 0.952 ( 1.881 0.000 0.000) 1.881 0.982 ( -0.914 0.000 0.000) 0.914 0.982 ( -0.914 0.000 0.000) 0.914 1.179 ( 0.803 0.000 0.000) 0.803 1.179 ( 0.803 0.000 0.000) 0.803 1.199 ( -1.308 0.000 0.000) 1.308 1.199 ( -1.308 0.000 0.000) 1.308 1.690 ( 4.380 0.000 0.000) 4.380 1.690 ( 4.380 0.000 0.000) 4.380 1.747 ( -0.614 0.000 -0.000) 0.614 1.747 ( -0.614 0.000 0.000) 0.614 1.845 ( 0.274 0.000 0.000) 0.274 1.845 ( 0.274 0.000 -0.000) 0.274 1.865 ( -1.553 -0.000 -0.000) 1.553 1.865 ( -1.553 0.000 0.000) 1.553 2.010 ( -0.061 0.000 0.000) 0.061 2.010 ( -0.061 0.000 -0.000) 0.061 2.024 ( -1.727 -0.000 -0.000) 1.727 2.024 ( -1.727 0.000 0.000) 1.727 2.371 ( 1.824 0.000 -0.000) 1.824 2.371 ( 1.824 0.000 0.000) 1.824 2.398 ( -1.398 -0.000 -0.000) 1.398 2.398 ( -1.398 0.000 0.000) 1.398 2.421 ( 20.836 0.000 0.000) 20.836 2.421 ( 20.836 0.000 0.000) 20.836 2.829 ( -16.374 0.000 0.000) 16.374 2.829 ( -16.374 0.000 0.000) 16.374 2.871 ( -2.062 0.000 -0.000) 2.062 2.871 ( -2.062 0.000 0.000) 2.062 2.899 ( -1.734 0.000 0.000) 1.734 2.899 ( -1.734 0.000 -0.000) 1.734 3.178 ( 3.970 0.000 -0.000) 3.970 3.178 ( 3.970 0.000 0.000) 3.970 3.251 ( -3.837 0.000 0.000) 3.837 3.251 ( -3.837 0.000 0.000) 3.837 3.980 ( 2.952 0.000 0.000) 2.952 3.980 ( 2.952 0.000 0.000) 2.952 4.041 ( -3.248 0.000 -0.000) 3.248 4.041 ( -3.248 0.000 0.000) 3.248 4.290 ( 0.881 0.000 -0.000) 0.881 4.290 ( 0.881 0.000 0.000) 0.881 4.301 ( -0.404 0.000 -0.000) 0.404 4.301 ( -0.404 0.000 0.000) 0.404 4.331 ( 2.578 -0.000 -0.000) 2.578 4.331 ( 2.578 -0.000 0.000) 2.578 4.386 ( -3.141 0.000 -0.000) 3.141 4.386 ( -3.141 0.000 0.000) 3.141 4.492 ( 1.968 0.000 -0.000) 1.968 4.492 ( 1.968 0.000 0.000) 1.968 4.530 ( -1.707 0.000 -0.000) 1.707 4.530 ( -1.707 0.000 0.000) 1.707 4.797 ( -0.253 0.000 0.000) 0.253 4.797 ( -0.253 0.000 0.000) 0.253 4.803 ( -0.820 0.000 -0.000) 0.820 4.803 ( -0.820 0.000 0.000) 0.820 4.963 ( 1.090 0.000 0.000) 1.090 4.963 ( 1.090 0.000 0.000) 1.090 4.984 ( -1.073 0.000 -0.000) 1.073 4.984 ( -1.073 0.000 0.000) 1.073 5.129 ( 0.473 0.000 -0.000) 0.473 5.129 ( 0.473 0.000 0.000) 0.473 5.135 ( -0.272 0.000 -0.000) 0.272 5.135 ( -0.272 0.000 0.000) 0.272 5.313 ( 6.128 0.000 0.000) 6.128 5.313 ( 6.128 0.000 0.000) 6.128 5.392 ( -1.525 0.000 0.000) 1.525 5.392 ( -1.525 0.000 0.000) 1.525 5.597 ( 0.575 0.000 -0.000) 0.575 5.597 ( 0.575 0.000 0.000) 0.575 5.609 ( -0.595 0.000 0.000) 0.595 5.609 ( -0.595 0.000 0.000) 0.595 =================== 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 3/17280 10.0 19.976 59.056 40.634 0.000 0.000 0.000 3/17280 20.0 5.536 15.838 8.482 0.000 0.000 0.000 3/17280 30.0 3.616 8.606 4.178 0.000 0.000 0.000 3/17280 40.0 2.858 5.931 2.720 0.000 0.000 0.000 3/17280 50.0 2.384 4.536 2.009 0.000 0.000 0.000 3/17280 60.0 2.044 3.678 1.593 0.000 0.000 0.000 3/17280 70.0 1.787 3.099 1.322 0.000 0.000 0.000 3/17280 80.0 1.586 2.681 1.132 0.000 0.000 0.000 3/17280 90.0 1.426 2.365 0.990 0.000 0.000 0.000 3/17280 100.0 1.294 2.117 0.881 0.000 0.000 0.000 3/17280 110.0 1.185 1.918 0.795 0.000 0.000 0.000 3/17280 120.0 1.092 1.753 0.724 0.000 0.000 0.000 3/17280 130.0 1.013 1.615 0.665 0.000 0.000 0.000 3/17280 140.0 0.944 1.498 0.615 0.000 0.000 0.000 3/17280 150.0 0.884 1.397 0.572 0.000 0.000 0.000 3/17280 160.0 0.832 1.308 0.535 0.000 0.000 0.000 3/17280 170.0 0.785 1.231 0.503 0.000 0.000 0.000 3/17280 180.0 0.743 1.162 0.474 0.000 0.000 0.000 3/17280 190.0 0.705 1.100 0.449 0.000 0.000 0.000 3/17280 200.0 0.671 1.045 0.426 0.000 0.000 0.000 3/17280 210.0 0.640 0.995 0.405 0.000 0.000 0.000 3/17280 220.0 0.612 0.950 0.386 0.000 0.000 0.000 3/17280 230.0 0.586 0.908 0.369 0.000 0.000 0.000 3/17280 240.0 0.562 0.871 0.354 0.000 0.000 0.000 3/17280 250.0 0.540 0.836 0.339 0.000 0.000 0.000 3/17280 260.0 0.520 0.804 0.326 0.000 0.000 0.000 3/17280 270.0 0.501 0.774 0.314 0.000 0.000 0.000 3/17280 280.0 0.483 0.746 0.303 0.000 0.000 0.000 3/17280 290.0 0.467 0.721 0.292 0.000 0.000 0.000 3/17280 300.0 0.452 0.697 0.282 0.000 0.000 0.000 3/17280 310.0 0.437 0.674 0.273 0.000 0.000 0.000 3/17280 320.0 0.424 0.653 0.265 0.000 0.000 0.000 3/17280 330.0 0.411 0.633 0.257 0.000 0.000 0.000 3/17280 340.0 0.399 0.615 0.249 0.000 0.000 0.000 3/17280 350.0 0.388 0.597 0.242 0.000 0.000 0.000 3/17280 360.0 0.378 0.581 0.235 0.000 0.000 0.000 3/17280 370.0 0.368 0.565 0.229 0.000 0.000 0.000 3/17280 380.0 0.358 0.550 0.223 0.000 0.000 0.000 3/17280 390.0 0.349 0.536 0.217 0.000 0.000 0.000 3/17280 400.0 0.340 0.523 0.211 0.000 0.000 0.000 3/17280 410.0 0.332 0.510 0.206 0.000 0.000 0.000 3/17280 420.0 0.324 0.498 0.201 0.000 0.000 0.000 3/17280 430.0 0.317 0.486 0.197 0.000 0.000 0.000 3/17280 440.0 0.310 0.475 0.192 0.000 0.000 0.000 3/17280 450.0 0.303 0.465 0.188 0.000 0.000 0.000 3/17280 460.0 0.296 0.455 0.184 0.000 0.000 0.000 3/17280 470.0 0.290 0.445 0.180 0.000 0.000 0.000 3/17280 480.0 0.284 0.436 0.176 0.000 0.000 0.000 3/17280 490.0 0.278 0.427 0.173 0.000 0.000 0.000 3/17280 500.0 0.273 0.418 0.169 0.000 0.000 0.000 3/17280 510.0 0.268 0.410 0.166 0.000 0.000 0.000 3/17280 520.0 0.263 0.402 0.163 0.000 0.000 0.000 3/17280 530.0 0.258 0.395 0.160 0.000 0.000 0.000 3/17280 540.0 0.253 0.387 0.157 0.000 0.000 0.000 3/17280 550.0 0.248 0.380 0.154 0.000 0.000 0.000 3/17280 560.0 0.244 0.374 0.151 0.000 0.000 0.000 3/17280 570.0 0.240 0.367 0.148 0.000 0.000 0.000 3/17280 580.0 0.236 0.361 0.146 0.000 0.000 0.000 3/17280 590.0 0.232 0.355 0.143 0.000 0.000 0.000 3/17280 600.0 0.228 0.349 0.141 0.000 0.000 0.000 3/17280 610.0 0.224 0.343 0.139 0.000 0.000 0.000 3/17280 620.0 0.221 0.338 0.136 0.000 0.000 0.000 3/17280 630.0 0.217 0.332 0.134 0.000 0.000 0.000 3/17280 640.0 0.214 0.327 0.132 0.000 0.000 0.000 3/17280 650.0 0.210 0.322 0.130 0.000 0.000 0.000 3/17280 660.0 0.207 0.317 0.128 0.000 0.000 0.000 3/17280 670.0 0.204 0.312 0.126 0.000 0.000 0.000 3/17280 680.0 0.201 0.308 0.124 0.000 0.000 0.000 3/17280 690.0 0.198 0.303 0.123 0.000 0.000 0.000 3/17280 700.0 0.196 0.299 0.121 0.000 0.000 0.000 3/17280 710.0 0.193 0.295 0.119 0.000 0.000 0.000 3/17280 720.0 0.190 0.291 0.117 0.000 0.000 0.000 3/17280 730.0 0.188 0.287 0.116 0.000 0.000 0.000 3/17280 740.0 0.185 0.283 0.114 0.000 0.000 0.000 3/17280 750.0 0.183 0.279 0.113 0.000 0.000 0.000 3/17280 760.0 0.180 0.276 0.111 0.000 0.000 0.000 3/17280 770.0 0.178 0.272 0.110 0.000 0.000 0.000 3/17280 780.0 0.176 0.268 0.108 0.000 0.000 0.000 3/17280 790.0 0.173 0.265 0.107 0.000 0.000 0.000 3/17280 800.0 0.171 0.262 0.106 0.000 0.000 0.000 3/17280 810.0 0.169 0.259 0.104 0.000 0.000 0.000 3/17280 820.0 0.167 0.255 0.103 0.000 0.000 0.000 3/17280 830.0 0.165 0.252 0.102 0.000 0.000 0.000 3/17280 840.0 0.163 0.249 0.101 0.000 0.000 0.000 3/17280 850.0 0.161 0.246 0.099 0.000 0.000 0.000 3/17280 860.0 0.159 0.244 0.098 0.000 0.000 0.000 3/17280 870.0 0.158 0.241 0.097 0.000 0.000 0.000 3/17280 880.0 0.156 0.238 0.096 0.000 0.000 0.000 3/17280 890.0 0.154 0.235 0.095 0.000 0.000 0.000 3/17280 900.0 0.152 0.233 0.094 0.000 0.000 0.000 3/17280 910.0 0.151 0.230 0.093 0.000 0.000 0.000 3/17280 920.0 0.149 0.228 0.092 0.000 0.000 0.000 3/17280 930.0 0.147 0.225 0.091 0.000 0.000 0.000 3/17280 940.0 0.146 0.223 0.090 0.000 0.000 0.000 3/17280 950.0 0.144 0.221 0.089 0.000 0.000 0.000 3/17280 960.0 0.143 0.218 0.088 0.000 0.000 0.000 3/17280 970.0 0.141 0.216 0.087 0.000 0.000 0.000 3/17280 980.0 0.140 0.214 0.086 0.000 0.000 0.000 3/17280 990.0 0.138 0.212 0.085 0.000 0.000 0.000 3/17280 1000.0 0.137 0.210 0.085 0.000 0.000 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m5124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:13:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|