----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.112764490088932 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -3.632725173878691 0.000000000000000 8.882759590784014 Atomic positions (fractional): *1 Nb 0.17577872274825 0.00680812185051 0.12942037058746 92.906 2 Nb 0.82422127725175 0.50680812185051 0.37057962941254 92.906 3 Nb 0.82422127725175 0.99319187814949 0.87057962941254 92.906 4 Nb 0.17577872274825 0.49319187814949 0.62942037058746 92.906 *5 Nb 0.52442203827913 0.02562913022677 0.36728680893072 92.906 6 Nb 0.47557796172087 0.52562913022677 0.13271319106929 92.906 7 Nb 0.47557796172087 0.97437086977323 0.63271319106929 92.906 8 Nb 0.52442203827913 0.47437086977323 0.86728680893071 92.906 *9 Te 0.24163649337704 0.10223851705310 0.41200386548044 127.600 10 Te 0.75836350662296 0.60223851705310 0.08799613451955 127.600 11 Te 0.75836350662296 0.89776148294690 0.58799613451956 127.600 12 Te 0.24163649337704 0.39776148294690 0.91200386548044 127.600 *13 Te 0.37729614046733 0.19635463241686 0.22357011883556 127.600 14 Te 0.62270385953267 0.69635463241686 0.27642988116444 127.600 15 Te 0.62270385953267 0.80364536758314 0.77642988116444 127.600 16 Te 0.37729614046733 0.30364536758314 0.72357011883556 127.600 *17 Te 0.95603423251067 0.16978678543855 0.03483958457305 127.600 18 Te 0.04396576748933 0.66978678543855 0.46516041542695 127.600 19 Te 0.04396576748933 0.83021321456145 0.96516041542695 127.600 20 Te 0.95603423251067 0.33021321456145 0.53483958457305 127.600 *21 Te 0.08707916960192 0.09033182556065 0.83771281340131 127.600 22 Te 0.91292083039808 0.59033182556065 0.66228718659869 127.600 23 Te 0.91292083039808 0.90966817443935 0.16228718659869 127.600 24 Te 0.08707916960192 0.40966817443935 0.33771281340131 127.600 *25 Te 0.45495866269274 0.92941261817192 0.08798641040060 127.600 26 Te 0.54504133730726 0.42941261817192 0.41201358959939 127.600 27 Te 0.54504133730726 0.07058738182808 0.91201358959940 127.600 28 Te 0.45495866269274 0.57058738182808 0.58798641040060 127.600 *29 Te 0.34733611207423 0.85372765571232 0.35934849559013 127.600 30 Te 0.65266388792577 0.35372765571232 0.14065150440987 127.600 31 Te 0.65266388792577 0.14627234428768 0.64065150440987 127.600 32 Te 0.34733611207423 0.64627234428768 0.85934849559013 127.600 *33 I 0.81421436779283 0.08560987945278 0.34258339877558 126.904 34 I 0.18578563220717 0.58560987945278 0.15741660122442 126.904 35 I 0.18578563220717 0.91439012054722 0.65741660122442 126.904 36 I 0.81421436779283 0.41439012054722 0.84258339877558 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.112764490088932 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -3.632725173878691 0.000000000000000 8.882759590784014 Atomic positions (fractional): *1 Nb 0.17577872274825 0.00680812185051 0.12942037058746 92.906 > 1 2 Nb 0.82422127725175 0.50680812185051 0.37057962941254 92.906 > 2 3 Nb 0.82422127725175 0.99319187814949 0.87057962941254 92.906 > 3 4 Nb 0.17577872274825 0.49319187814949 0.62942037058746 92.906 > 4 *5 Nb 0.52442203827913 0.02562913022677 0.36728680893072 92.906 > 5 6 Nb 0.47557796172087 0.52562913022677 0.13271319106929 92.906 > 6 7 Nb 0.47557796172087 0.97437086977323 0.63271319106929 92.906 > 7 8 Nb 0.52442203827913 0.47437086977323 0.86728680893071 92.906 > 8 *9 Te 0.24163649337704 0.10223851705310 0.41200386548044 127.600 > 9 10 Te 0.75836350662296 0.60223851705310 0.08799613451955 127.600 > 10 11 Te 0.75836350662296 0.89776148294690 0.58799613451956 127.600 > 11 12 Te 0.24163649337704 0.39776148294690 0.91200386548044 127.600 > 12 *13 Te 0.37729614046733 0.19635463241686 0.22357011883556 127.600 > 13 14 Te 0.62270385953267 0.69635463241686 0.27642988116444 127.600 > 14 15 Te 0.62270385953267 0.80364536758314 0.77642988116444 127.600 > 15 16 Te 0.37729614046733 0.30364536758314 0.72357011883556 127.600 > 16 *17 Te 0.95603423251067 0.16978678543855 0.03483958457305 127.600 > 17 18 Te 0.04396576748933 0.66978678543855 0.46516041542695 127.600 > 18 19 Te 0.04396576748933 0.83021321456145 0.96516041542695 127.600 > 19 20 Te 0.95603423251067 0.33021321456145 0.53483958457305 127.600 > 20 *21 Te 0.08707916960192 0.09033182556065 0.83771281340131 127.600 > 21 22 Te 0.91292083039808 0.59033182556065 0.66228718659869 127.600 > 22 23 Te 0.91292083039808 0.90966817443935 0.16228718659869 127.600 > 23 24 Te 0.08707916960192 0.40966817443935 0.33771281340131 127.600 > 24 *25 Te 0.45495866269274 0.92941261817192 0.08798641040060 127.600 > 25 26 Te 0.54504133730726 0.42941261817192 0.41201358959939 127.600 > 26 27 Te 0.54504133730726 0.07058738182808 0.91201358959940 127.600 > 27 28 Te 0.45495866269274 0.57058738182808 0.58798641040060 127.600 > 28 *29 Te 0.34733611207423 0.85372765571232 0.35934849559013 127.600 > 29 30 Te 0.65266388792577 0.35372765571232 0.14065150440987 127.600 > 30 31 Te 0.65266388792577 0.14627234428768 0.64065150440987 127.600 > 31 32 Te 0.34733611207423 0.64627234428768 0.85934849559013 127.600 > 32 *33 I 0.81421436779283 0.08560987945278 0.34258339877558 126.904 > 33 34 I 0.18578563220717 0.58560987945278 0.15741660122442 126.904 > 34 35 I 0.18578563220717 0.91439012054722 0.65741660122442 126.904 > 35 36 I 0.81421436779283 0.41439012054722 0.84258339877558 126.904 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.225528980177863 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -7.265450347757382 0.000000000000000 17.765519181568028 Atomic positions (fractional): *1 Nb 0.08788936137413 0.00680812185051 0.06471018529373 92.906 > 1 2 Nb 0.58788936137413 0.00680812185051 0.06471018529373 92.906 > 1 3 Nb 0.08788936137413 0.00680812185051 0.56471018529373 92.906 > 1 4 Nb 0.58788936137413 0.00680812185051 0.56471018529373 92.906 > 1 5 Nb 0.41211063862587 0.50680812185051 0.18528981470627 92.906 > 2 6 Nb 0.91211063862587 0.50680812185051 0.18528981470627 92.906 > 2 7 Nb 0.41211063862587 0.50680812185051 0.68528981470627 92.906 > 2 8 Nb 0.91211063862587 0.50680812185051 0.68528981470627 92.906 > 2 9 Nb 0.41211063862587 0.99319187814949 0.43528981470627 92.906 > 3 10 Nb 0.91211063862587 0.99319187814949 0.43528981470627 92.906 > 3 11 Nb 0.41211063862587 0.99319187814949 0.93528981470627 92.906 > 3 12 Nb 0.91211063862587 0.99319187814949 0.93528981470627 92.906 > 3 13 Nb 0.08788936137413 0.49319187814949 0.31471018529373 92.906 > 4 14 Nb 0.58788936137413 0.49319187814949 0.31471018529373 92.906 > 4 15 Nb 0.08788936137413 0.49319187814949 0.81471018529373 92.906 > 4 16 Nb 0.58788936137413 0.49319187814949 0.81471018529373 92.906 > 4 *17 Nb 0.26221101913956 0.02562913022677 0.18364340446536 92.906 > 5 18 Nb 0.76221101913956 0.02562913022677 0.18364340446536 92.906 > 5 19 Nb 0.26221101913956 0.02562913022677 0.68364340446536 92.906 > 5 20 Nb 0.76221101913956 0.02562913022677 0.68364340446536 92.906 > 5 21 Nb 0.23778898086044 0.52562913022677 0.06635659553464 92.906 > 6 22 Nb 0.73778898086044 0.52562913022677 0.06635659553464 92.906 > 6 23 Nb 0.23778898086044 0.52562913022677 0.56635659553464 92.906 > 6 24 Nb 0.73778898086044 0.52562913022677 0.56635659553464 92.906 > 6 25 Nb 0.23778898086044 0.97437086977323 0.31635659553464 92.906 > 7 26 Nb 0.73778898086044 0.97437086977323 0.31635659553464 92.906 > 7 27 Nb 0.23778898086044 0.97437086977323 0.81635659553464 92.906 > 7 28 Nb 0.73778898086044 0.97437086977323 0.81635659553464 92.906 > 7 29 Nb 0.26221101913956 0.47437086977323 0.43364340446536 92.906 > 8 30 Nb 0.76221101913956 0.47437086977323 0.43364340446536 92.906 > 8 31 Nb 0.26221101913956 0.47437086977323 0.93364340446536 92.906 > 8 32 Nb 0.76221101913956 0.47437086977323 0.93364340446536 92.906 > 8 *33 Te 0.12081824668852 0.10223851705310 0.20600193274022 127.600 > 9 34 Te 0.62081824668852 0.10223851705310 0.20600193274022 127.600 > 9 35 Te 0.12081824668852 0.10223851705310 0.70600193274022 127.600 > 9 36 Te 0.62081824668852 0.10223851705310 0.70600193274022 127.600 > 9 37 Te 0.37918175331148 0.60223851705310 0.04399806725978 127.600 > 10 38 Te 0.87918175331148 0.60223851705310 0.04399806725978 127.600 > 10 39 Te 0.37918175331148 0.60223851705310 0.54399806725978 127.600 > 10 40 Te 0.87918175331148 0.60223851705310 0.54399806725978 127.600 > 10 41 Te 0.37918175331148 0.89776148294690 0.29399806725978 127.600 > 11 42 Te 0.87918175331148 0.89776148294690 0.29399806725978 127.600 > 11 43 Te 0.37918175331148 0.89776148294690 0.79399806725978 127.600 > 11 44 Te 0.87918175331148 0.89776148294690 0.79399806725978 127.600 > 11 45 Te 0.12081824668852 0.39776148294690 0.45600193274022 127.600 > 12 46 Te 0.62081824668852 0.39776148294690 0.45600193274022 127.600 > 12 47 Te 0.12081824668852 0.39776148294690 0.95600193274022 127.600 > 12 48 Te 0.62081824668852 0.39776148294690 0.95600193274022 127.600 > 12 *49 Te 0.18864807023366 0.19635463241686 0.11178505941778 127.600 > 13 50 Te 0.68864807023366 0.19635463241686 0.11178505941778 127.600 > 13 51 Te 0.18864807023366 0.19635463241686 0.61178505941778 127.600 > 13 52 Te 0.68864807023366 0.19635463241686 0.61178505941778 127.600 > 13 53 Te 0.31135192976634 0.69635463241686 0.13821494058222 127.600 > 14 54 Te 0.81135192976634 0.69635463241686 0.13821494058222 127.600 > 14 55 Te 0.31135192976634 0.69635463241686 0.63821494058222 127.600 > 14 56 Te 0.81135192976634 0.69635463241686 0.63821494058222 127.600 > 14 57 Te 0.31135192976634 0.80364536758314 0.38821494058222 127.600 > 15 58 Te 0.81135192976634 0.80364536758314 0.38821494058222 127.600 > 15 59 Te 0.31135192976634 0.80364536758314 0.88821494058222 127.600 > 15 60 Te 0.81135192976634 0.80364536758314 0.88821494058222 127.600 > 15 61 Te 0.18864807023366 0.30364536758314 0.36178505941778 127.600 > 16 62 Te 0.68864807023366 0.30364536758314 0.36178505941778 127.600 > 16 63 Te 0.18864807023366 0.30364536758314 0.86178505941778 127.600 > 16 64 Te 0.68864807023366 0.30364536758314 0.86178505941778 127.600 > 16 *65 Te 0.47801711625534 0.16978678543855 0.01741979228653 127.600 > 17 66 Te 0.97801711625534 0.16978678543855 0.01741979228653 127.600 > 17 67 Te 0.47801711625534 0.16978678543855 0.51741979228653 127.600 > 17 68 Te 0.97801711625534 0.16978678543855 0.51741979228653 127.600 > 17 69 Te 0.02198288374466 0.66978678543855 0.23258020771347 127.600 > 18 70 Te 0.52198288374466 0.66978678543855 0.23258020771347 127.600 > 18 71 Te 0.02198288374466 0.66978678543855 0.73258020771347 127.600 > 18 72 Te 0.52198288374466 0.66978678543855 0.73258020771347 127.600 > 18 73 Te 0.02198288374466 0.83021321456145 0.48258020771347 127.600 > 19 74 Te 0.52198288374466 0.83021321456145 0.48258020771347 127.600 > 19 75 Te 0.02198288374466 0.83021321456145 0.98258020771347 127.600 > 19 76 Te 0.52198288374466 0.83021321456145 0.98258020771347 127.600 > 19 77 Te 0.47801711625534 0.33021321456145 0.26741979228653 127.600 > 20 78 Te 0.97801711625534 0.33021321456145 0.26741979228653 127.600 > 20 79 Te 0.47801711625534 0.33021321456145 0.76741979228653 127.600 > 20 80 Te 0.97801711625534 0.33021321456145 0.76741979228653 127.600 > 20 *81 Te 0.04353958480096 0.09033182556065 0.41885640670065 127.600 > 21 82 Te 0.54353958480096 0.09033182556065 0.41885640670065 127.600 > 21 83 Te 0.04353958480096 0.09033182556065 0.91885640670065 127.600 > 21 84 Te 0.54353958480096 0.09033182556065 0.91885640670065 127.600 > 21 85 Te 0.45646041519904 0.59033182556065 0.33114359329935 127.600 > 22 86 Te 0.95646041519904 0.59033182556065 0.33114359329935 127.600 > 22 87 Te 0.45646041519904 0.59033182556065 0.83114359329935 127.600 > 22 88 Te 0.95646041519904 0.59033182556065 0.83114359329935 127.600 > 22 89 Te 0.45646041519904 0.90966817443935 0.08114359329935 127.600 > 23 90 Te 0.95646041519904 0.90966817443935 0.08114359329935 127.600 > 23 91 Te 0.45646041519904 0.90966817443935 0.58114359329935 127.600 > 23 92 Te 0.95646041519904 0.90966817443935 0.58114359329935 127.600 > 23 93 Te 0.04353958480096 0.40966817443935 0.16885640670065 127.600 > 24 94 Te 0.54353958480096 0.40966817443935 0.16885640670065 127.600 > 24 95 Te 0.04353958480096 0.40966817443935 0.66885640670065 127.600 > 24 96 Te 0.54353958480096 0.40966817443935 0.66885640670065 127.600 > 24 *97 Te 0.22747933134637 0.92941261817192 0.04399320520030 127.600 > 25 98 Te 0.72747933134637 0.92941261817192 0.04399320520030 127.600 > 25 99 Te 0.22747933134637 0.92941261817192 0.54399320520030 127.600 > 25 100 Te 0.72747933134637 0.92941261817192 0.54399320520030 127.600 > 25 101 Te 0.27252066865363 0.42941261817192 0.20600679479970 127.600 > 26 102 Te 0.77252066865363 0.42941261817192 0.20600679479970 127.600 > 26 103 Te 0.27252066865363 0.42941261817192 0.70600679479970 127.600 > 26 104 Te 0.77252066865363 0.42941261817192 0.70600679479970 127.600 > 26 105 Te 0.27252066865363 0.07058738182808 0.45600679479970 127.600 > 27 106 Te 0.77252066865363 0.07058738182808 0.45600679479970 127.600 > 27 107 Te 0.27252066865363 0.07058738182808 0.95600679479970 127.600 > 27 108 Te 0.77252066865363 0.07058738182808 0.95600679479970 127.600 > 27 109 Te 0.22747933134637 0.57058738182808 0.29399320520030 127.600 > 28 110 Te 0.72747933134637 0.57058738182808 0.29399320520030 127.600 > 28 111 Te 0.22747933134637 0.57058738182808 0.79399320520030 127.600 > 28 112 Te 0.72747933134637 0.57058738182808 0.79399320520030 127.600 > 28 *113 Te 0.17366805603712 0.85372765571232 0.17967424779506 127.600 > 29 114 Te 0.67366805603712 0.85372765571232 0.17967424779506 127.600 > 29 115 Te 0.17366805603712 0.85372765571232 0.67967424779506 127.600 > 29 116 Te 0.67366805603712 0.85372765571232 0.67967424779506 127.600 > 29 117 Te 0.32633194396288 0.35372765571232 0.07032575220494 127.600 > 30 118 Te 0.82633194396288 0.35372765571232 0.07032575220494 127.600 > 30 119 Te 0.32633194396288 0.35372765571232 0.57032575220494 127.600 > 30 120 Te 0.82633194396288 0.35372765571232 0.57032575220494 127.600 > 30 121 Te 0.32633194396288 0.14627234428768 0.32032575220494 127.600 > 31 122 Te 0.82633194396288 0.14627234428768 0.32032575220494 127.600 > 31 123 Te 0.32633194396288 0.14627234428768 0.82032575220494 127.600 > 31 124 Te 0.82633194396288 0.14627234428768 0.82032575220494 127.600 > 31 125 Te 0.17366805603712 0.64627234428768 0.42967424779506 127.600 > 32 126 Te 0.67366805603712 0.64627234428768 0.42967424779506 127.600 > 32 127 Te 0.17366805603712 0.64627234428768 0.92967424779506 127.600 > 32 128 Te 0.67366805603712 0.64627234428768 0.92967424779506 127.600 > 32 *129 I 0.40710718389642 0.08560987945278 0.17129169938779 126.904 > 33 130 I 0.90710718389642 0.08560987945278 0.17129169938779 126.904 > 33 131 I 0.40710718389642 0.08560987945278 0.67129169938779 126.904 > 33 132 I 0.90710718389642 0.08560987945278 0.67129169938779 126.904 > 33 133 I 0.09289281610358 0.58560987945278 0.07870830061221 126.904 > 34 134 I 0.59289281610358 0.58560987945278 0.07870830061221 126.904 > 34 135 I 0.09289281610358 0.58560987945278 0.57870830061221 126.904 > 34 136 I 0.59289281610358 0.58560987945278 0.57870830061221 126.904 > 34 137 I 0.09289281610358 0.91439012054722 0.32870830061221 126.904 > 35 138 I 0.59289281610358 0.91439012054722 0.32870830061221 126.904 > 35 139 I 0.09289281610358 0.91439012054722 0.82870830061221 126.904 > 35 140 I 0.59289281610358 0.91439012054722 0.82870830061221 126.904 > 35 141 I 0.40710718389642 0.41439012054722 0.42129169938779 126.904 > 36 142 I 0.90710718389642 0.41439012054722 0.42129169938779 126.904 > 36 143 I 0.40710718389642 0.41439012054722 0.92129169938779 126.904 > 36 144 I 0.90710718389642 0.41439012054722 0.92129169938779 126.904 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.3312877 0.0000000 -2.0978773 0.0000000 16.4148893 0.0000000 -2.0978817 0.0000000 23.8710893 -------------------------- Born effective charges -------------------------- 1 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 2 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 3 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 4 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 5 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 6 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 7 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 8 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 9 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 10 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 11 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 12 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 13 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 14 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 15 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 16 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 17 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 18 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 19 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 20 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 21 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 22 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 23 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 24 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 25 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 26 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 27 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 28 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 29 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 30 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 31 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 32 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 33 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 34 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 35 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 36 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 1120 - Time: 3.511 Solver_block: 200 / 1120 - Time: 5.161 Solver_block: 300 / 1120 - Time: 2.163 Solver_block: 400 / 1120 - Time: 4.460 Solver_block: 500 / 1120 - Time: 4.543 Solver_block: 600 / 1120 - Time: 3.481 Solver_block: 700 / 1120 - Time: 4.927 Solver_block: 800 / 1120 - Time: 2.660 Solver_block: 900 / 1120 - Time: 2.236 Solver_block: 1000 / 1120 - Time: 4.967 Solver_block: 1100 / 1120 - Time: 1.960 Solver_block: 1120 / 1120 - Time: 0.494 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 41.727 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 282), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:33:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:33:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.112764490088932 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -3.632725173878691 0.000000000000000 8.882759590784014 Atomic positions (fractional): 1 Nb 0.17577872274825 0.00680812185051 0.12942037058746 92.906 2 Nb 0.82422127725175 0.50680812185051 0.37057962941254 92.906 3 Nb 0.82422127725175 0.99319187814949 0.87057962941254 92.906 4 Nb 0.17577872274825 0.49319187814949 0.62942037058746 92.906 5 Nb 0.52442203827913 0.02562913022677 0.36728680893072 92.906 6 Nb 0.47557796172087 0.52562913022677 0.13271319106929 92.906 7 Nb 0.47557796172087 0.97437086977323 0.63271319106929 92.906 8 Nb 0.52442203827913 0.47437086977323 0.86728680893071 92.906 9 Te 0.24163649337704 0.10223851705310 0.41200386548044 127.600 10 Te 0.75836350662296 0.60223851705310 0.08799613451955 127.600 11 Te 0.75836350662296 0.89776148294690 0.58799613451956 127.600 12 Te 0.24163649337704 0.39776148294690 0.91200386548044 127.600 13 Te 0.37729614046733 0.19635463241686 0.22357011883556 127.600 14 Te 0.62270385953267 0.69635463241686 0.27642988116444 127.600 15 Te 0.62270385953267 0.80364536758314 0.77642988116444 127.600 16 Te 0.37729614046733 0.30364536758314 0.72357011883556 127.600 17 Te 0.95603423251067 0.16978678543855 0.03483958457305 127.600 18 Te 0.04396576748933 0.66978678543855 0.46516041542695 127.600 19 Te 0.04396576748933 0.83021321456145 0.96516041542695 127.600 20 Te 0.95603423251067 0.33021321456145 0.53483958457305 127.600 21 Te 0.08707916960192 0.09033182556065 0.83771281340131 127.600 22 Te 0.91292083039808 0.59033182556065 0.66228718659869 127.600 23 Te 0.91292083039808 0.90966817443935 0.16228718659869 127.600 24 Te 0.08707916960192 0.40966817443935 0.33771281340131 127.600 25 Te 0.45495866269274 0.92941261817192 0.08798641040060 127.600 26 Te 0.54504133730726 0.42941261817192 0.41201358959939 127.600 27 Te 0.54504133730726 0.07058738182808 0.91201358959940 127.600 28 Te 0.45495866269274 0.57058738182808 0.58798641040060 127.600 29 Te 0.34733611207423 0.85372765571232 0.35934849559013 127.600 30 Te 0.65266388792577 0.35372765571232 0.14065150440987 127.600 31 Te 0.65266388792577 0.14627234428768 0.64065150440987 127.600 32 Te 0.34733611207423 0.64627234428768 0.85934849559013 127.600 33 I 0.81421436779283 0.08560987945278 0.34258339877558 126.904 34 I 0.18578563220717 0.58560987945278 0.15741660122442 126.904 35 I 0.18578563220717 0.91439012054722 0.65741660122442 126.904 36 I 0.81421436779283 0.41439012054722 0.84258339877558 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.225528980177863 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -7.265450347757382 0.000000000000000 17.765519181568028 Atomic positions (fractional): 1 Nb 0.08788936137413 0.00680812185051 0.06471018529373 92.906 > 1 2 Nb 0.58788936137413 0.00680812185051 0.06471018529373 92.906 > 1 3 Nb 0.08788936137413 0.00680812185051 0.56471018529373 92.906 > 1 4 Nb 0.58788936137413 0.00680812185051 0.56471018529373 92.906 > 1 5 Nb 0.41211063862587 0.50680812185051 0.18528981470627 92.906 > 5 6 Nb 0.91211063862587 0.50680812185051 0.18528981470627 92.906 > 5 7 Nb 0.41211063862587 0.50680812185051 0.68528981470627 92.906 > 5 8 Nb 0.91211063862587 0.50680812185051 0.68528981470627 92.906 > 5 9 Nb 0.41211063862587 0.99319187814949 0.43528981470627 92.906 > 9 10 Nb 0.91211063862587 0.99319187814949 0.43528981470627 92.906 > 9 11 Nb 0.41211063862587 0.99319187814949 0.93528981470627 92.906 > 9 12 Nb 0.91211063862587 0.99319187814949 0.93528981470627 92.906 > 9 13 Nb 0.08788936137413 0.49319187814949 0.31471018529373 92.906 > 13 14 Nb 0.58788936137413 0.49319187814949 0.31471018529373 92.906 > 13 15 Nb 0.08788936137413 0.49319187814949 0.81471018529373 92.906 > 13 16 Nb 0.58788936137413 0.49319187814949 0.81471018529373 92.906 > 13 17 Nb 0.26221101913956 0.02562913022677 0.18364340446536 92.906 > 17 18 Nb 0.76221101913956 0.02562913022677 0.18364340446536 92.906 > 17 19 Nb 0.26221101913956 0.02562913022677 0.68364340446536 92.906 > 17 20 Nb 0.76221101913956 0.02562913022677 0.68364340446536 92.906 > 17 21 Nb 0.23778898086044 0.52562913022677 0.06635659553464 92.906 > 21 22 Nb 0.73778898086044 0.52562913022677 0.06635659553464 92.906 > 21 23 Nb 0.23778898086044 0.52562913022677 0.56635659553464 92.906 > 21 24 Nb 0.73778898086044 0.52562913022677 0.56635659553464 92.906 > 21 25 Nb 0.23778898086044 0.97437086977323 0.31635659553464 92.906 > 25 26 Nb 0.73778898086044 0.97437086977323 0.31635659553464 92.906 > 25 27 Nb 0.23778898086044 0.97437086977323 0.81635659553464 92.906 > 25 28 Nb 0.73778898086044 0.97437086977323 0.81635659553464 92.906 > 25 29 Nb 0.26221101913956 0.47437086977323 0.43364340446536 92.906 > 29 30 Nb 0.76221101913956 0.47437086977323 0.43364340446536 92.906 > 29 31 Nb 0.26221101913956 0.47437086977323 0.93364340446536 92.906 > 29 32 Nb 0.76221101913956 0.47437086977323 0.93364340446536 92.906 > 29 33 Te 0.12081824668852 0.10223851705310 0.20600193274022 127.600 > 33 34 Te 0.62081824668852 0.10223851705310 0.20600193274022 127.600 > 33 35 Te 0.12081824668852 0.10223851705310 0.70600193274022 127.600 > 33 36 Te 0.62081824668852 0.10223851705310 0.70600193274022 127.600 > 33 37 Te 0.37918175331148 0.60223851705310 0.04399806725978 127.600 > 37 38 Te 0.87918175331148 0.60223851705310 0.04399806725978 127.600 > 37 39 Te 0.37918175331148 0.60223851705310 0.54399806725978 127.600 > 37 40 Te 0.87918175331148 0.60223851705310 0.54399806725978 127.600 > 37 41 Te 0.37918175331148 0.89776148294690 0.29399806725978 127.600 > 41 42 Te 0.87918175331148 0.89776148294690 0.29399806725978 127.600 > 41 43 Te 0.37918175331148 0.89776148294690 0.79399806725978 127.600 > 41 44 Te 0.87918175331148 0.89776148294690 0.79399806725978 127.600 > 41 45 Te 0.12081824668852 0.39776148294690 0.45600193274022 127.600 > 45 46 Te 0.62081824668852 0.39776148294690 0.45600193274022 127.600 > 45 47 Te 0.12081824668852 0.39776148294690 0.95600193274022 127.600 > 45 48 Te 0.62081824668852 0.39776148294690 0.95600193274022 127.600 > 45 49 Te 0.18864807023366 0.19635463241686 0.11178505941778 127.600 > 49 50 Te 0.68864807023366 0.19635463241686 0.11178505941778 127.600 > 49 51 Te 0.18864807023366 0.19635463241686 0.61178505941778 127.600 > 49 52 Te 0.68864807023366 0.19635463241686 0.61178505941778 127.600 > 49 53 Te 0.31135192976634 0.69635463241686 0.13821494058222 127.600 > 53 54 Te 0.81135192976634 0.69635463241686 0.13821494058222 127.600 > 53 55 Te 0.31135192976634 0.69635463241686 0.63821494058222 127.600 > 53 56 Te 0.81135192976634 0.69635463241686 0.63821494058222 127.600 > 53 57 Te 0.31135192976634 0.80364536758314 0.38821494058222 127.600 > 57 58 Te 0.81135192976634 0.80364536758314 0.38821494058222 127.600 > 57 59 Te 0.31135192976634 0.80364536758314 0.88821494058222 127.600 > 57 60 Te 0.81135192976634 0.80364536758314 0.88821494058222 127.600 > 57 61 Te 0.18864807023366 0.30364536758314 0.36178505941778 127.600 > 61 62 Te 0.68864807023366 0.30364536758314 0.36178505941778 127.600 > 61 63 Te 0.18864807023366 0.30364536758314 0.86178505941778 127.600 > 61 64 Te 0.68864807023366 0.30364536758314 0.86178505941778 127.600 > 61 65 Te 0.47801711625534 0.16978678543855 0.01741979228653 127.600 > 65 66 Te 0.97801711625534 0.16978678543855 0.01741979228653 127.600 > 65 67 Te 0.47801711625534 0.16978678543855 0.51741979228653 127.600 > 65 68 Te 0.97801711625534 0.16978678543855 0.51741979228653 127.600 > 65 69 Te 0.02198288374466 0.66978678543855 0.23258020771347 127.600 > 69 70 Te 0.52198288374466 0.66978678543855 0.23258020771347 127.600 > 69 71 Te 0.02198288374466 0.66978678543855 0.73258020771347 127.600 > 69 72 Te 0.52198288374466 0.66978678543855 0.73258020771347 127.600 > 69 73 Te 0.02198288374466 0.83021321456145 0.48258020771347 127.600 > 73 74 Te 0.52198288374466 0.83021321456145 0.48258020771347 127.600 > 73 75 Te 0.02198288374466 0.83021321456145 0.98258020771347 127.600 > 73 76 Te 0.52198288374466 0.83021321456145 0.98258020771347 127.600 > 73 77 Te 0.47801711625534 0.33021321456145 0.26741979228653 127.600 > 77 78 Te 0.97801711625534 0.33021321456145 0.26741979228653 127.600 > 77 79 Te 0.47801711625534 0.33021321456145 0.76741979228653 127.600 > 77 80 Te 0.97801711625534 0.33021321456145 0.76741979228653 127.600 > 77 81 Te 0.04353958480096 0.09033182556065 0.41885640670065 127.600 > 81 82 Te 0.54353958480096 0.09033182556065 0.41885640670065 127.600 > 81 83 Te 0.04353958480096 0.09033182556065 0.91885640670065 127.600 > 81 84 Te 0.54353958480096 0.09033182556065 0.91885640670065 127.600 > 81 85 Te 0.45646041519904 0.59033182556065 0.33114359329935 127.600 > 85 86 Te 0.95646041519904 0.59033182556065 0.33114359329935 127.600 > 85 87 Te 0.45646041519904 0.59033182556065 0.83114359329935 127.600 > 85 88 Te 0.95646041519904 0.59033182556065 0.83114359329935 127.600 > 85 89 Te 0.45646041519904 0.90966817443935 0.08114359329935 127.600 > 89 90 Te 0.95646041519904 0.90966817443935 0.08114359329935 127.600 > 89 91 Te 0.45646041519904 0.90966817443935 0.58114359329935 127.600 > 89 92 Te 0.95646041519904 0.90966817443935 0.58114359329935 127.600 > 89 93 Te 0.04353958480096 0.40966817443935 0.16885640670065 127.600 > 93 94 Te 0.54353958480096 0.40966817443935 0.16885640670065 127.600 > 93 95 Te 0.04353958480096 0.40966817443935 0.66885640670065 127.600 > 93 96 Te 0.54353958480096 0.40966817443935 0.66885640670065 127.600 > 93 97 Te 0.22747933134637 0.92941261817192 0.04399320520030 127.600 > 97 98 Te 0.72747933134637 0.92941261817192 0.04399320520030 127.600 > 97 99 Te 0.22747933134637 0.92941261817192 0.54399320520030 127.600 > 97 100 Te 0.72747933134637 0.92941261817192 0.54399320520030 127.600 > 97 101 Te 0.27252066865363 0.42941261817192 0.20600679479970 127.600 > 101 102 Te 0.77252066865363 0.42941261817192 0.20600679479970 127.600 > 101 103 Te 0.27252066865363 0.42941261817192 0.70600679479970 127.600 > 101 104 Te 0.77252066865363 0.42941261817192 0.70600679479970 127.600 > 101 105 Te 0.27252066865363 0.07058738182808 0.45600679479970 127.600 > 105 106 Te 0.77252066865363 0.07058738182808 0.45600679479970 127.600 > 105 107 Te 0.27252066865363 0.07058738182808 0.95600679479970 127.600 > 105 108 Te 0.77252066865363 0.07058738182808 0.95600679479970 127.600 > 105 109 Te 0.22747933134637 0.57058738182808 0.29399320520030 127.600 > 109 110 Te 0.72747933134637 0.57058738182808 0.29399320520030 127.600 > 109 111 Te 0.22747933134637 0.57058738182808 0.79399320520030 127.600 > 109 112 Te 0.72747933134637 0.57058738182808 0.79399320520030 127.600 > 109 113 Te 0.17366805603712 0.85372765571232 0.17967424779506 127.600 > 113 114 Te 0.67366805603712 0.85372765571232 0.17967424779506 127.600 > 113 115 Te 0.17366805603712 0.85372765571232 0.67967424779506 127.600 > 113 116 Te 0.67366805603712 0.85372765571232 0.67967424779506 127.600 > 113 117 Te 0.32633194396288 0.35372765571232 0.07032575220494 127.600 > 117 118 Te 0.82633194396288 0.35372765571232 0.07032575220494 127.600 > 117 119 Te 0.32633194396288 0.35372765571232 0.57032575220494 127.600 > 117 120 Te 0.82633194396288 0.35372765571232 0.57032575220494 127.600 > 117 121 Te 0.32633194396288 0.14627234428768 0.32032575220494 127.600 > 121 122 Te 0.82633194396288 0.14627234428768 0.32032575220494 127.600 > 121 123 Te 0.32633194396288 0.14627234428768 0.82032575220494 127.600 > 121 124 Te 0.82633194396288 0.14627234428768 0.82032575220494 127.600 > 121 125 Te 0.17366805603712 0.64627234428768 0.42967424779506 127.600 > 125 126 Te 0.67366805603712 0.64627234428768 0.42967424779506 127.600 > 125 127 Te 0.17366805603712 0.64627234428768 0.92967424779506 127.600 > 125 128 Te 0.67366805603712 0.64627234428768 0.92967424779506 127.600 > 125 129 I 0.40710718389642 0.08560987945278 0.17129169938779 126.904 > 129 130 I 0.90710718389642 0.08560987945278 0.17129169938779 126.904 > 129 131 I 0.40710718389642 0.08560987945278 0.67129169938779 126.904 > 129 132 I 0.90710718389642 0.08560987945278 0.67129169938779 126.904 > 129 133 I 0.09289281610358 0.58560987945278 0.07870830061221 126.904 > 133 134 I 0.59289281610358 0.58560987945278 0.07870830061221 126.904 > 133 135 I 0.09289281610358 0.58560987945278 0.57870830061221 126.904 > 133 136 I 0.59289281610358 0.58560987945278 0.57870830061221 126.904 > 133 137 I 0.09289281610358 0.91439012054722 0.32870830061221 126.904 > 137 138 I 0.59289281610358 0.91439012054722 0.32870830061221 126.904 > 137 139 I 0.09289281610358 0.91439012054722 0.82870830061221 126.904 > 137 140 I 0.59289281610358 0.91439012054722 0.82870830061221 126.904 > 137 141 I 0.40710718389642 0.41439012054722 0.42129169938779 126.904 > 141 142 I 0.90710718389642 0.41439012054722 0.42129169938779 126.904 > 141 143 I 0.40710718389642 0.41439012054722 0.92129169938779 126.904 > 141 144 I 0.90710718389642 0.41439012054722 0.92129169938779 126.904 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 21.3312877 0.0000000 -2.0978773 0.0000000 16.4148893 0.0000000 -2.0978817 0.0000000 23.8710893 -------------------------- Born effective charges -------------------------- 1 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 2 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 3 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 4 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 5 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 6 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 7 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 8 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 9 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 10 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 11 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 12 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 13 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 14 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 15 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 16 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 17 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 18 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 19 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 20 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 21 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 22 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 23 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 24 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 25 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 26 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 27 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 28 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 29 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 30 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 31 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 32 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 33 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 34 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 35 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 36 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 33, 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] 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] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000038 (zzz) 0.00000038 (zzz) 0.00000038 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000166 (zx) -0.00000166 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:34:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:34:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.112764490088932 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -3.632725173878691 0.000000000000000 8.882759590784014 Atomic positions (fractional): 1 Nb 0.17577872274825 0.00680812185051 0.12942037058746 92.906 2 Nb 0.82422127725175 0.50680812185051 0.37057962941254 92.906 3 Nb 0.82422127725175 0.99319187814949 0.87057962941254 92.906 4 Nb 0.17577872274825 0.49319187814949 0.62942037058746 92.906 5 Nb 0.52442203827913 0.02562913022677 0.36728680893072 92.906 6 Nb 0.47557796172087 0.52562913022677 0.13271319106929 92.906 7 Nb 0.47557796172087 0.97437086977323 0.63271319106929 92.906 8 Nb 0.52442203827913 0.47437086977323 0.86728680893071 92.906 9 Te 0.24163649337704 0.10223851705310 0.41200386548044 127.600 10 Te 0.75836350662296 0.60223851705310 0.08799613451955 127.600 11 Te 0.75836350662296 0.89776148294690 0.58799613451956 127.600 12 Te 0.24163649337704 0.39776148294690 0.91200386548044 127.600 13 Te 0.37729614046733 0.19635463241686 0.22357011883556 127.600 14 Te 0.62270385953267 0.69635463241686 0.27642988116444 127.600 15 Te 0.62270385953267 0.80364536758314 0.77642988116444 127.600 16 Te 0.37729614046733 0.30364536758314 0.72357011883556 127.600 17 Te 0.95603423251067 0.16978678543855 0.03483958457305 127.600 18 Te 0.04396576748933 0.66978678543855 0.46516041542695 127.600 19 Te 0.04396576748933 0.83021321456145 0.96516041542695 127.600 20 Te 0.95603423251067 0.33021321456145 0.53483958457305 127.600 21 Te 0.08707916960192 0.09033182556065 0.83771281340131 127.600 22 Te 0.91292083039808 0.59033182556065 0.66228718659869 127.600 23 Te 0.91292083039808 0.90966817443935 0.16228718659869 127.600 24 Te 0.08707916960192 0.40966817443935 0.33771281340131 127.600 25 Te 0.45495866269274 0.92941261817192 0.08798641040060 127.600 26 Te 0.54504133730726 0.42941261817192 0.41201358959939 127.600 27 Te 0.54504133730726 0.07058738182808 0.91201358959940 127.600 28 Te 0.45495866269274 0.57058738182808 0.58798641040060 127.600 29 Te 0.34733611207423 0.85372765571232 0.35934849559013 127.600 30 Te 0.65266388792577 0.35372765571232 0.14065150440987 127.600 31 Te 0.65266388792577 0.14627234428768 0.64065150440987 127.600 32 Te 0.34733611207423 0.64627234428768 0.85934849559013 127.600 33 I 0.81421436779283 0.08560987945278 0.34258339877558 126.904 34 I 0.18578563220717 0.58560987945278 0.15741660122442 126.904 35 I 0.18578563220717 0.91439012054722 0.65741660122442 126.904 36 I 0.81421436779283 0.41439012054722 0.84258339877558 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.225528980177863 0.000000000000000 0.000000000000000 b 0.000000000000000 13.206047129999996 0.000000000000000 c -7.265450347757382 0.000000000000000 17.765519181568028 Atomic positions (fractional): 1 Nb 0.08788936137413 0.00680812185051 0.06471018529373 92.906 > 1 2 Nb 0.58788936137413 0.00680812185051 0.06471018529373 92.906 > 1 3 Nb 0.08788936137413 0.00680812185051 0.56471018529373 92.906 > 1 4 Nb 0.58788936137413 0.00680812185051 0.56471018529373 92.906 > 1 5 Nb 0.41211063862587 0.50680812185051 0.18528981470627 92.906 > 5 6 Nb 0.91211063862587 0.50680812185051 0.18528981470627 92.906 > 5 7 Nb 0.41211063862587 0.50680812185051 0.68528981470627 92.906 > 5 8 Nb 0.91211063862587 0.50680812185051 0.68528981470627 92.906 > 5 9 Nb 0.41211063862587 0.99319187814949 0.43528981470627 92.906 > 9 10 Nb 0.91211063862587 0.99319187814949 0.43528981470627 92.906 > 9 11 Nb 0.41211063862587 0.99319187814949 0.93528981470627 92.906 > 9 12 Nb 0.91211063862587 0.99319187814949 0.93528981470627 92.906 > 9 13 Nb 0.08788936137413 0.49319187814949 0.31471018529373 92.906 > 13 14 Nb 0.58788936137413 0.49319187814949 0.31471018529373 92.906 > 13 15 Nb 0.08788936137413 0.49319187814949 0.81471018529373 92.906 > 13 16 Nb 0.58788936137413 0.49319187814949 0.81471018529373 92.906 > 13 17 Nb 0.26221101913956 0.02562913022677 0.18364340446536 92.906 > 17 18 Nb 0.76221101913956 0.02562913022677 0.18364340446536 92.906 > 17 19 Nb 0.26221101913956 0.02562913022677 0.68364340446536 92.906 > 17 20 Nb 0.76221101913956 0.02562913022677 0.68364340446536 92.906 > 17 21 Nb 0.23778898086044 0.52562913022677 0.06635659553464 92.906 > 21 22 Nb 0.73778898086044 0.52562913022677 0.06635659553464 92.906 > 21 23 Nb 0.23778898086044 0.52562913022677 0.56635659553464 92.906 > 21 24 Nb 0.73778898086044 0.52562913022677 0.56635659553464 92.906 > 21 25 Nb 0.23778898086044 0.97437086977323 0.31635659553464 92.906 > 25 26 Nb 0.73778898086044 0.97437086977323 0.31635659553464 92.906 > 25 27 Nb 0.23778898086044 0.97437086977323 0.81635659553464 92.906 > 25 28 Nb 0.73778898086044 0.97437086977323 0.81635659553464 92.906 > 25 29 Nb 0.26221101913956 0.47437086977323 0.43364340446536 92.906 > 29 30 Nb 0.76221101913956 0.47437086977323 0.43364340446536 92.906 > 29 31 Nb 0.26221101913956 0.47437086977323 0.93364340446536 92.906 > 29 32 Nb 0.76221101913956 0.47437086977323 0.93364340446536 92.906 > 29 33 Te 0.12081824668852 0.10223851705310 0.20600193274022 127.600 > 33 34 Te 0.62081824668852 0.10223851705310 0.20600193274022 127.600 > 33 35 Te 0.12081824668852 0.10223851705310 0.70600193274022 127.600 > 33 36 Te 0.62081824668852 0.10223851705310 0.70600193274022 127.600 > 33 37 Te 0.37918175331148 0.60223851705310 0.04399806725978 127.600 > 37 38 Te 0.87918175331148 0.60223851705310 0.04399806725978 127.600 > 37 39 Te 0.37918175331148 0.60223851705310 0.54399806725978 127.600 > 37 40 Te 0.87918175331148 0.60223851705310 0.54399806725978 127.600 > 37 41 Te 0.37918175331148 0.89776148294690 0.29399806725978 127.600 > 41 42 Te 0.87918175331148 0.89776148294690 0.29399806725978 127.600 > 41 43 Te 0.37918175331148 0.89776148294690 0.79399806725978 127.600 > 41 44 Te 0.87918175331148 0.89776148294690 0.79399806725978 127.600 > 41 45 Te 0.12081824668852 0.39776148294690 0.45600193274022 127.600 > 45 46 Te 0.62081824668852 0.39776148294690 0.45600193274022 127.600 > 45 47 Te 0.12081824668852 0.39776148294690 0.95600193274022 127.600 > 45 48 Te 0.62081824668852 0.39776148294690 0.95600193274022 127.600 > 45 49 Te 0.18864807023366 0.19635463241686 0.11178505941778 127.600 > 49 50 Te 0.68864807023366 0.19635463241686 0.11178505941778 127.600 > 49 51 Te 0.18864807023366 0.19635463241686 0.61178505941778 127.600 > 49 52 Te 0.68864807023366 0.19635463241686 0.61178505941778 127.600 > 49 53 Te 0.31135192976634 0.69635463241686 0.13821494058222 127.600 > 53 54 Te 0.81135192976634 0.69635463241686 0.13821494058222 127.600 > 53 55 Te 0.31135192976634 0.69635463241686 0.63821494058222 127.600 > 53 56 Te 0.81135192976634 0.69635463241686 0.63821494058222 127.600 > 53 57 Te 0.31135192976634 0.80364536758314 0.38821494058222 127.600 > 57 58 Te 0.81135192976634 0.80364536758314 0.38821494058222 127.600 > 57 59 Te 0.31135192976634 0.80364536758314 0.88821494058222 127.600 > 57 60 Te 0.81135192976634 0.80364536758314 0.88821494058222 127.600 > 57 61 Te 0.18864807023366 0.30364536758314 0.36178505941778 127.600 > 61 62 Te 0.68864807023366 0.30364536758314 0.36178505941778 127.600 > 61 63 Te 0.18864807023366 0.30364536758314 0.86178505941778 127.600 > 61 64 Te 0.68864807023366 0.30364536758314 0.86178505941778 127.600 > 61 65 Te 0.47801711625534 0.16978678543855 0.01741979228653 127.600 > 65 66 Te 0.97801711625534 0.16978678543855 0.01741979228653 127.600 > 65 67 Te 0.47801711625534 0.16978678543855 0.51741979228653 127.600 > 65 68 Te 0.97801711625534 0.16978678543855 0.51741979228653 127.600 > 65 69 Te 0.02198288374466 0.66978678543855 0.23258020771347 127.600 > 69 70 Te 0.52198288374466 0.66978678543855 0.23258020771347 127.600 > 69 71 Te 0.02198288374466 0.66978678543855 0.73258020771347 127.600 > 69 72 Te 0.52198288374466 0.66978678543855 0.73258020771347 127.600 > 69 73 Te 0.02198288374466 0.83021321456145 0.48258020771347 127.600 > 73 74 Te 0.52198288374466 0.83021321456145 0.48258020771347 127.600 > 73 75 Te 0.02198288374466 0.83021321456145 0.98258020771347 127.600 > 73 76 Te 0.52198288374466 0.83021321456145 0.98258020771347 127.600 > 73 77 Te 0.47801711625534 0.33021321456145 0.26741979228653 127.600 > 77 78 Te 0.97801711625534 0.33021321456145 0.26741979228653 127.600 > 77 79 Te 0.47801711625534 0.33021321456145 0.76741979228653 127.600 > 77 80 Te 0.97801711625534 0.33021321456145 0.76741979228653 127.600 > 77 81 Te 0.04353958480096 0.09033182556065 0.41885640670065 127.600 > 81 82 Te 0.54353958480096 0.09033182556065 0.41885640670065 127.600 > 81 83 Te 0.04353958480096 0.09033182556065 0.91885640670065 127.600 > 81 84 Te 0.54353958480096 0.09033182556065 0.91885640670065 127.600 > 81 85 Te 0.45646041519904 0.59033182556065 0.33114359329935 127.600 > 85 86 Te 0.95646041519904 0.59033182556065 0.33114359329935 127.600 > 85 87 Te 0.45646041519904 0.59033182556065 0.83114359329935 127.600 > 85 88 Te 0.95646041519904 0.59033182556065 0.83114359329935 127.600 > 85 89 Te 0.45646041519904 0.90966817443935 0.08114359329935 127.600 > 89 90 Te 0.95646041519904 0.90966817443935 0.08114359329935 127.600 > 89 91 Te 0.45646041519904 0.90966817443935 0.58114359329935 127.600 > 89 92 Te 0.95646041519904 0.90966817443935 0.58114359329935 127.600 > 89 93 Te 0.04353958480096 0.40966817443935 0.16885640670065 127.600 > 93 94 Te 0.54353958480096 0.40966817443935 0.16885640670065 127.600 > 93 95 Te 0.04353958480096 0.40966817443935 0.66885640670065 127.600 > 93 96 Te 0.54353958480096 0.40966817443935 0.66885640670065 127.600 > 93 97 Te 0.22747933134637 0.92941261817192 0.04399320520030 127.600 > 97 98 Te 0.72747933134637 0.92941261817192 0.04399320520030 127.600 > 97 99 Te 0.22747933134637 0.92941261817192 0.54399320520030 127.600 > 97 100 Te 0.72747933134637 0.92941261817192 0.54399320520030 127.600 > 97 101 Te 0.27252066865363 0.42941261817192 0.20600679479970 127.600 > 101 102 Te 0.77252066865363 0.42941261817192 0.20600679479970 127.600 > 101 103 Te 0.27252066865363 0.42941261817192 0.70600679479970 127.600 > 101 104 Te 0.77252066865363 0.42941261817192 0.70600679479970 127.600 > 101 105 Te 0.27252066865363 0.07058738182808 0.45600679479970 127.600 > 105 106 Te 0.77252066865363 0.07058738182808 0.45600679479970 127.600 > 105 107 Te 0.27252066865363 0.07058738182808 0.95600679479970 127.600 > 105 108 Te 0.77252066865363 0.07058738182808 0.95600679479970 127.600 > 105 109 Te 0.22747933134637 0.57058738182808 0.29399320520030 127.600 > 109 110 Te 0.72747933134637 0.57058738182808 0.29399320520030 127.600 > 109 111 Te 0.22747933134637 0.57058738182808 0.79399320520030 127.600 > 109 112 Te 0.72747933134637 0.57058738182808 0.79399320520030 127.600 > 109 113 Te 0.17366805603712 0.85372765571232 0.17967424779506 127.600 > 113 114 Te 0.67366805603712 0.85372765571232 0.17967424779506 127.600 > 113 115 Te 0.17366805603712 0.85372765571232 0.67967424779506 127.600 > 113 116 Te 0.67366805603712 0.85372765571232 0.67967424779506 127.600 > 113 117 Te 0.32633194396288 0.35372765571232 0.07032575220494 127.600 > 117 118 Te 0.82633194396288 0.35372765571232 0.07032575220494 127.600 > 117 119 Te 0.32633194396288 0.35372765571232 0.57032575220494 127.600 > 117 120 Te 0.82633194396288 0.35372765571232 0.57032575220494 127.600 > 117 121 Te 0.32633194396288 0.14627234428768 0.32032575220494 127.600 > 121 122 Te 0.82633194396288 0.14627234428768 0.32032575220494 127.600 > 121 123 Te 0.32633194396288 0.14627234428768 0.82032575220494 127.600 > 121 124 Te 0.82633194396288 0.14627234428768 0.82032575220494 127.600 > 121 125 Te 0.17366805603712 0.64627234428768 0.42967424779506 127.600 > 125 126 Te 0.67366805603712 0.64627234428768 0.42967424779506 127.600 > 125 127 Te 0.17366805603712 0.64627234428768 0.92967424779506 127.600 > 125 128 Te 0.67366805603712 0.64627234428768 0.92967424779506 127.600 > 125 129 I 0.40710718389642 0.08560987945278 0.17129169938779 126.904 > 129 130 I 0.90710718389642 0.08560987945278 0.17129169938779 126.904 > 129 131 I 0.40710718389642 0.08560987945278 0.67129169938779 126.904 > 129 132 I 0.90710718389642 0.08560987945278 0.67129169938779 126.904 > 129 133 I 0.09289281610358 0.58560987945278 0.07870830061221 126.904 > 133 134 I 0.59289281610358 0.58560987945278 0.07870830061221 126.904 > 133 135 I 0.09289281610358 0.58560987945278 0.57870830061221 126.904 > 133 136 I 0.59289281610358 0.58560987945278 0.57870830061221 126.904 > 133 137 I 0.09289281610358 0.91439012054722 0.32870830061221 126.904 > 137 138 I 0.59289281610358 0.91439012054722 0.32870830061221 126.904 > 137 139 I 0.09289281610358 0.91439012054722 0.82870830061221 126.904 > 137 140 I 0.59289281610358 0.91439012054722 0.82870830061221 126.904 > 137 141 I 0.40710718389642 0.41439012054722 0.42129169938779 126.904 > 141 142 I 0.90710718389642 0.41439012054722 0.42129169938779 126.904 > 141 143 I 0.40710718389642 0.41439012054722 0.92129169938779 126.904 > 141 144 I 0.90710718389642 0.41439012054722 0.92129169938779 126.904 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 21.3312877 0.0000000 -2.0978773 0.0000000 16.4148893 0.0000000 -2.0978817 0.0000000 23.8710893 -------------------------- Born effective charges -------------------------- 1 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 2 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 3 Nb -3.2001059 -0.6897614 -1.9414820 0.0083891 -2.3206860 -0.0380986 -2.1812100 -0.0404689 -3.0730497 4 Nb -3.2001059 0.6897614 -1.9414820 -0.0083891 -2.3206860 0.0380986 -2.1812100 0.0404689 -3.0730497 5 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 6 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 7 Nb 1.3780051 0.7555302 -1.2668816 -0.1758011 0.9631129 0.2079932 0.3567685 -0.3994611 1.4968830 8 Nb 1.3780051 -0.7555302 -1.2668816 0.1758011 0.9631129 -0.2079932 0.3567685 0.3994611 1.4968830 9 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 10 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 11 Te 0.3555718 0.3125425 1.4562917 -0.0218125 -0.1380866 0.3283181 0.3243647 0.0739855 -0.5172870 12 Te 0.3555718 -0.3125425 1.4562917 0.0218125 -0.1380866 -0.3283181 0.3243647 -0.0739855 -0.5172870 13 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 14 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 15 Te 1.9155546 1.4018548 -0.1876037 2.0942043 2.0631004 -0.1713043 -0.3593644 0.3059228 0.9660467 16 Te 1.9155546 -1.4018548 -0.1876037 -2.0942043 2.0631004 0.1713043 -0.3593644 -0.3059228 0.9660467 17 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 18 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 19 Te 0.5136570 0.3655777 1.0429382 0.4825040 0.5897453 -0.5859867 0.7043580 -0.6149670 0.3722957 20 Te 0.5136570 -0.3655777 1.0429382 -0.4825040 0.5897453 0.5859867 0.7043580 0.6149670 0.3722957 21 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 22 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 23 Te 2.3053201 -1.9253888 -1.0221092 -0.7526720 1.3314419 0.8888066 -0.7173902 1.4923595 1.9402995 24 Te 2.3053201 1.9253888 -1.0221092 0.7526720 1.3314419 -0.8888066 -0.7173902 -1.4923595 1.9402995 25 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 26 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 27 Te 0.4084116 0.3580330 -0.4277767 0.6114442 -0.3081076 -0.6331674 -0.0638362 -0.3678597 0.5676327 28 Te 0.4084116 -0.3580330 -0.4277767 -0.6114442 -0.3081076 0.6331674 -0.0638362 0.3678597 0.5676327 29 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 30 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 31 Te -0.6461014 1.0596496 0.9307055 0.0255136 -1.1641190 0.0739915 0.4412830 -0.4111562 -0.5315853 32 Te -0.6461014 -1.0596496 0.9307055 -0.0255136 -1.1641190 -0.0739915 0.4412830 0.4111562 -0.5315853 33 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 34 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 35 I -3.0303130 -0.1177605 1.4159177 0.0030586 -1.0164014 0.0050481 1.4950267 0.0022051 -1.2212356 36 I -3.0303130 0.1177605 1.4159177 -0.0030586 -1.0164014 -0.0050481 1.4950267 -0.0022051 -1.2212356 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000038 (zzz) 0.00000038 (zzz) 0.00000038 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 6 ] 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: 0.41, Number of G-points: 303, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 0.485 ( 0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.155 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.275 ( 0.000 0.000 0.000) 0.000 1.283 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.598 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 1.915 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.444 ( 0.000 0.000 0.000) 0.000 2.482 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.244 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.299 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.544 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.783 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.145 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.547 ( 0.000 0.000 0.000) 0.000 4.583 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.724 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 0.000) 0.000 5.221 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.052 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.408 ( 0.000 0.000 0.000) 0.000 7.456 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 8.043 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 10.053 0.000 9.169) 13.606 0.381 ( 19.138 0.000 1.316) 19.183 0.621 ( 24.930 0.000 20.238) 32.110 0.678 ( 16.087 0.000 -0.125) 16.087 0.879 ( 8.710 0.000 9.901) 13.187 1.033 ( -3.280 0.000 -1.631) 3.663 1.162 ( -0.125 0.000 0.906) 0.914 1.174 ( -0.197 0.000 3.172) 3.178 1.256 ( -2.606 0.000 -2.624) 3.698 1.272 ( 0.099 0.000 -3.511) 3.513 1.401 ( -4.205 0.000 -1.838) 4.590 1.401 ( 1.313 0.000 1.044) 1.678 1.569 ( -6.022 0.000 -5.047) 7.858 1.570 ( -2.057 0.000 -5.761) 6.117 1.581 ( -7.661 0.000 -8.823) 11.685 1.598 ( -1.703 0.000 -1.671) 2.386 1.734 ( -3.616 0.000 -1.263) 3.830 1.852 ( -0.064 0.000 -3.625) 3.626 1.927 ( -1.136 0.000 -1.928) 2.238 1.933 ( 3.142 0.000 5.413) 6.259 1.950 ( 4.904 0.000 -0.200) 4.908 2.047 ( 6.604 0.000 4.567) 8.029 2.114 ( 4.142 0.000 0.016) 4.142 2.133 ( 3.491 0.000 11.371) 11.895 2.195 ( 2.065 0.000 -0.816) 2.220 2.202 ( 6.320 0.000 11.564) 13.178 2.260 ( -1.862 0.000 -2.145) 2.840 2.323 ( 1.401 0.000 -1.676) 2.184 2.434 ( -0.978 0.000 0.132) 0.987 2.462 ( -1.692 0.000 -2.197) 2.773 2.533 ( 0.572 0.000 0.799) 0.982 2.574 ( -0.909 0.000 -4.405) 4.498 2.627 ( 1.171 0.000 -3.828) 4.003 2.716 ( -1.069 0.000 -0.517) 1.188 2.717 ( -4.920 0.000 -4.206) 6.472 2.754 ( -2.785 0.000 1.820) 3.327 2.827 ( 0.492 0.000 -3.195) 3.232 2.834 ( -4.028 0.000 -5.349) 6.696 2.871 ( -1.301 0.000 -1.861) 2.271 2.906 ( -0.443 0.000 -0.845) 0.954 2.928 ( -1.600 0.000 0.777) 1.778 2.939 ( 0.012 0.000 -0.114) 0.114 2.967 ( -1.635 0.000 1.118) 1.980 3.026 ( 1.777 0.000 -1.226) 2.159 3.073 ( -0.160 0.000 1.598) 1.606 3.077 ( 1.282 0.000 1.401) 1.899 3.112 ( -0.242 0.000 0.710) 0.750 3.126 ( -0.860 0.000 -1.173) 1.454 3.171 ( -0.986 0.000 -1.375) 1.692 3.203 ( -0.333 0.000 -0.726) 0.798 3.265 ( 1.538 0.000 1.357) 2.051 3.271 ( -2.006 0.000 0.335) 2.033 3.295 ( 0.910 0.000 -0.260) 0.946 3.342 ( 1.432 0.000 -0.378) 1.481 3.354 ( -0.139 0.000 -1.274) 1.282 3.443 ( -0.676 0.000 -1.190) 1.369 3.474 ( -1.017 0.000 -2.077) 2.313 3.475 ( -1.645 0.000 -2.324) 2.847 3.558 ( -0.425 0.000 -2.175) 2.217 3.617 ( -1.420 0.000 -1.544) 2.098 3.626 ( 1.203 0.000 -0.882) 1.491 3.656 ( 0.694 0.000 1.149) 1.343 3.683 ( 0.719 0.000 0.110) 0.727 3.707 ( 0.925 0.000 -1.145) 1.472 3.745 ( -2.762 0.000 0.921) 2.911 3.759 ( -2.647 0.000 1.263) 2.933 3.870 ( 1.478 0.000 1.351) 2.002 3.882 ( 1.453 0.000 -1.688) 2.227 3.883 ( -0.181 0.000 0.913) 0.931 3.887 ( 1.880 0.000 -0.903) 2.085 3.948 ( 0.079 0.000 -0.019) 0.082 3.950 ( 0.276 0.000 0.122) 0.302 4.151 ( 0.501 0.000 1.035) 1.150 4.197 ( 0.186 0.000 1.036) 1.052 4.496 ( -0.797 0.000 -1.015) 1.291 4.531 ( -0.276 0.000 -2.934) 2.947 4.596 ( 0.111 0.000 1.799) 1.802 4.626 ( 0.109 0.000 -0.031) 0.113 4.727 ( 0.214 0.000 -0.418) 0.469 4.762 ( 0.733 0.000 0.927) 1.182 5.027 ( 0.134 0.000 0.295) 0.324 5.037 ( 0.162 0.000 0.437) 0.467 5.166 ( -1.861 0.000 -1.682) 2.509 5.188 ( -2.100 0.000 -1.730) 2.720 5.416 ( 1.892 0.000 1.412) 2.361 5.449 ( 1.189 0.000 0.435) 1.266 5.980 ( 1.162 0.000 2.223) 2.509 6.066 ( -0.862 0.000 5.437) 5.505 6.687 ( -2.065 0.000 -2.143) 2.976 6.702 ( -0.897 0.000 -1.228) 1.521 6.737 ( -3.171 0.000 -3.572) 4.776 6.746 ( -2.926 0.000 -2.702) 3.983 6.787 ( -1.374 0.000 -0.871) 1.627 6.816 ( -1.256 0.000 -1.293) 1.802 6.894 ( -2.345 0.000 -3.598) 4.294 6.901 ( -1.230 0.000 -2.082) 2.419 7.028 ( 3.168 0.000 1.153) 3.371 7.060 ( 0.692 0.000 1.612) 1.754 7.134 ( 3.670 0.000 6.599) 7.551 7.159 ( 3.311 0.000 5.490) 6.411 7.268 ( -0.328 0.000 1.720) 1.751 7.282 ( 0.298 0.000 0.804) 0.858 7.407 ( 0.128 0.000 -1.061) 1.068 7.451 ( -0.252 0.000 -0.725) 0.767 7.596 ( 0.323 0.000 1.616) 1.648 7.627 ( 0.060 0.000 0.908) 0.910 7.994 ( -0.556 0.000 0.109) 0.566 8.039 ( -0.445 0.000 0.021) 0.445 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 12.045 0.000 10.685) 16.102 0.699 ( 14.057 0.000 1.273) 14.114 0.936 ( 10.780 0.000 -1.628) 10.902 0.970 ( -1.689 0.000 -1.592) 2.321 1.063 ( 1.102 0.000 1.735) 2.056 1.109 ( 1.574 0.000 -1.640) 2.273 1.176 ( -3.204 0.000 0.890) 3.325 1.188 ( -5.192 0.000 -6.010) 7.942 1.225 ( 14.205 0.000 16.827) 22.021 1.286 ( 7.186 0.000 5.792) 9.230 1.295 ( -4.694 0.000 4.944) 6.817 1.362 ( -3.818 0.000 -4.267) 5.726 1.395 ( -1.679 0.000 -12.035) 12.152 1.463 ( 4.595 0.000 2.800) 5.381 1.571 ( -3.588 0.000 4.808) 5.999 1.601 ( 2.918 0.000 1.992) 3.533 1.725 ( 2.311 0.000 0.159) 2.316 1.786 ( -3.839 0.000 -2.356) 4.505 1.865 ( -3.959 0.000 -1.003) 4.084 1.963 ( 0.120 0.000 1.008) 1.015 2.089 ( -6.384 0.000 -8.339) 10.502 2.107 ( 4.857 0.000 -3.486) 5.979 2.202 ( 0.802 0.000 -2.692) 2.809 2.215 ( 1.587 0.000 1.730) 2.347 2.238 ( 1.118 0.000 -4.843) 4.971 2.257 ( 5.828 0.000 2.636) 6.396 2.287 ( 3.757 0.000 5.290) 6.489 2.352 ( -0.553 0.000 8.247) 8.266 2.403 ( -0.532 0.000 -4.754) 4.784 2.454 ( 3.385 0.000 -0.731) 3.463 2.527 ( -1.663 0.000 -1.191) 2.045 2.540 ( -1.185 0.000 4.024) 4.195 2.607 ( -7.050 0.000 -2.515) 7.485 2.621 ( -0.713 0.000 0.388) 0.812 2.634 ( -2.179 0.000 -0.541) 2.245 2.728 ( -0.693 0.000 -6.219) 6.258 2.756 ( -0.735 0.000 3.696) 3.768 2.820 ( 2.175 0.000 -4.206) 4.735 2.863 ( 0.064 0.000 -0.020) 0.067 2.870 ( -2.101 0.000 -2.265) 3.090 2.905 ( -1.654 0.000 1.674) 2.354 2.936 ( -1.298 0.000 0.024) 1.298 2.953 ( -0.023 0.000 1.903) 1.903 3.027 ( -0.507 0.000 -0.235) 0.558 3.073 ( -1.704 0.000 -2.105) 2.708 3.076 ( -1.370 0.000 -2.575) 2.917 3.104 ( 0.447 0.000 1.119) 1.205 3.133 ( 1.056 0.000 1.190) 1.591 3.146 ( 0.281 0.000 0.939) 0.980 3.198 ( 0.176 0.000 0.690) 0.712 3.235 ( -1.469 0.000 -0.518) 1.558 3.271 ( -1.243 0.000 -1.520) 1.963 3.299 ( 0.146 0.000 -1.922) 1.928 3.382 ( 2.692 0.000 0.260) 2.704 3.384 ( 2.569 0.000 0.955) 2.740 3.412 ( -1.027 0.000 -1.089) 1.496 3.445 ( -0.327 0.000 -0.748) 0.816 3.454 ( -0.306 0.000 -0.168) 0.349 3.523 ( -0.837 0.000 -2.658) 2.787 3.575 ( -1.026 0.000 -1.426) 1.756 3.630 ( 0.258 0.000 -1.646) 1.666 3.657 ( -1.507 0.000 -0.300) 1.537 3.671 ( -3.755 0.000 1.472) 4.033 3.685 ( -1.825 0.000 1.341) 2.265 3.728 ( -0.121 0.000 -0.229) 0.259 3.747 ( 1.100 0.000 0.648) 1.277 3.875 ( 0.394 0.000 -0.168) 0.429 3.877 ( 0.328 0.000 -0.173) 0.371 3.920 ( 0.982 0.000 -0.624) 1.163 3.921 ( 1.864 0.000 -0.048) 1.865 3.946 ( -0.241 0.000 0.030) 0.243 3.953 ( -0.093 0.000 0.028) 0.097 4.181 ( 1.183 0.000 2.199) 2.497 4.211 ( 0.113 0.000 1.419) 1.424 4.468 ( -1.028 0.000 -1.347) 1.694 4.508 ( -0.054 0.000 -1.905) 1.906 4.606 ( -0.115 0.000 0.916) 0.923 4.628 ( 0.066 0.000 -0.051) 0.083 4.729 ( -0.059 0.000 0.295) 0.301 4.784 ( 0.702 0.000 0.962) 1.191 5.037 ( 0.584 0.000 0.849) 1.030 5.047 ( 0.407 0.000 0.747) 0.851 5.113 ( -2.183 0.000 -2.009) 2.967 5.138 ( -1.748 0.000 -1.677) 2.422 5.455 ( 1.224 0.000 0.839) 1.484 5.473 ( 0.697 0.000 0.730) 1.009 6.024 ( 1.277 0.000 2.587) 2.885 6.100 ( 0.517 0.000 3.683) 3.719 6.622 ( -2.647 0.000 -2.774) 3.834 6.647 ( -3.512 0.000 -3.918) 5.262 6.657 ( -1.854 0.000 -2.585) 3.181 6.676 ( -0.973 0.000 -1.276) 1.605 6.780 ( -0.123 0.000 0.826) 0.835 6.790 ( -1.132 0.000 -0.655) 1.308 6.847 ( -0.600 0.000 -1.551) 1.663 6.854 ( -1.495 0.000 -2.427) 2.850 7.084 ( 0.528 0.000 1.118) 1.237 7.086 ( 1.708 0.000 1.223) 2.101 7.247 ( 3.326 0.000 4.905) 5.926 7.251 ( 2.296 0.000 3.916) 4.539 7.277 ( 0.076 0.000 1.526) 1.528 7.296 ( 0.481 0.000 0.986) 1.097 7.397 ( -0.058 0.000 -1.644) 1.645 7.434 ( -0.715 0.000 -1.405) 1.577 7.614 ( 0.181 0.000 1.472) 1.483 7.637 ( 0.163 0.000 0.982) 0.995 7.983 ( -0.581 0.000 0.076) 0.586 8.030 ( -0.450 0.000 0.010) 0.450 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 0.000 0.000 0.000) 0.000 0.871 ( 0.000 0.000 0.000) 0.000 0.872 ( 0.000 0.000 0.000) 0.000 0.937 ( 0.000 0.000 -0.000) 0.000 1.075 ( 0.000 0.000 0.000) 0.000 1.081 ( 0.000 0.000 0.000) 0.000 1.102 ( -0.000 0.000 -0.000) 0.000 1.127 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.286 ( -0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 -0.000) 0.000 1.407 ( 0.000 0.000 0.000) 0.000 1.531 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.656 ( -0.000 0.000 -0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.750 ( -0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.866 ( -0.000 0.000 -0.000) 0.000 1.892 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 -0.000) 0.000 2.385 ( -0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 -0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.505 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.609 ( -0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 -0.000) 0.000 2.763 ( 0.000 0.000 -0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 -0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 -0.000) 0.000 3.037 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.137 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.212 ( 0.000 0.000 0.000) 0.000 3.214 ( -0.000 0.000 -0.000) 0.000 3.236 ( 0.000 0.000 0.000) 0.000 3.287 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.502 ( 0.000 0.000 -0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.612 ( 0.000 0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 -0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.218 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.501 ( 0.000 0.000 0.000) 0.000 4.608 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.060 ( -0.000 0.000 -0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.470 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.581 ( 0.000 0.000 0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.785 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.300 ( -0.000 0.000 -0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.387 ( 0.000 0.000 0.000) 0.000 7.415 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.643 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.026 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 0.000 10.401 0.000) 10.401 0.273 ( 0.000 13.876 0.000) 13.876 0.386 ( 0.000 19.364 0.000) 19.364 0.500 ( 0.000 -4.063 0.000) 4.063 0.688 ( 0.000 -6.537 0.000) 6.537 0.965 ( 0.000 -9.563 0.000) 9.563 1.157 ( 0.000 0.227 0.000) 0.227 1.171 ( 0.000 -0.272 0.000) 0.272 1.290 ( 0.000 1.512 0.000) 1.512 1.323 ( 0.000 3.580 0.000) 3.580 1.370 ( 0.000 -1.741 0.000) 1.741 1.435 ( 0.000 -1.489 0.000) 1.489 1.620 ( 0.000 2.081 0.000) 2.081 1.621 ( 0.000 3.133 0.000) 3.133 1.717 ( 0.000 0.857 0.000) 0.857 1.726 ( 0.000 -2.434 0.000) 2.434 1.789 ( 0.000 -5.061 0.000) 5.061 1.847 ( 0.000 -4.208 0.000) 4.208 1.860 ( 0.000 1.230 0.000) 1.230 1.888 ( 0.000 1.991 0.000) 1.991 1.911 ( 0.000 -0.712 0.000) 0.712 1.940 ( 0.000 -0.719 0.000) 0.719 2.032 ( 0.000 0.577 0.000) 0.577 2.051 ( 0.000 -0.515 0.000) 0.515 2.110 ( 0.000 3.185 0.000) 3.185 2.195 ( 0.000 -0.585 0.000) 0.585 2.291 ( 0.000 0.196 0.000) 0.196 2.297 ( 0.000 -0.642 0.000) 0.642 2.450 ( 0.000 1.295 0.000) 1.295 2.522 ( 0.000 2.473 0.000) 2.473 2.543 ( 0.000 -0.062 0.000) 0.062 2.558 ( 0.000 -0.217 0.000) 0.217 2.615 ( 0.000 0.693 0.000) 0.693 2.735 ( 0.000 0.353 0.000) 0.353 2.754 ( 0.000 -3.223 0.000) 3.223 2.781 ( 0.000 -1.223 0.000) 1.223 2.851 ( 0.000 1.594 0.000) 1.594 2.876 ( 0.000 -0.493 0.000) 0.493 2.899 ( 0.000 -0.623 0.000) 0.623 2.915 ( 0.000 -1.839 0.000) 1.839 2.955 ( 0.000 1.672 0.000) 1.672 2.973 ( 0.000 0.263 0.000) 0.263 2.976 ( 0.000 0.338 0.000) 0.338 2.978 ( 0.000 0.295 0.000) 0.295 3.074 ( 0.000 -0.201 0.000) 0.201 3.074 ( 0.000 -0.011 0.000) 0.011 3.106 ( 0.000 0.680 0.000) 0.680 3.133 ( 0.000 -0.419 0.000) 0.419 3.186 ( 0.000 0.189 0.000) 0.189 3.203 ( 0.000 -0.520 0.000) 0.520 3.255 ( 0.000 0.680 0.000) 0.680 3.275 ( 0.000 -0.270 0.000) 0.270 3.312 ( 0.000 1.299 0.000) 1.299 3.334 ( 0.000 0.415 0.000) 0.415 3.366 ( 0.000 0.018 0.000) 0.018 3.424 ( 0.000 -2.664 0.000) 2.664 3.508 ( 0.000 0.138 0.000) 0.138 3.511 ( 0.000 -0.033 0.000) 0.033 3.564 ( 0.000 1.361 0.000) 1.361 3.604 ( 0.000 -0.865 0.000) 0.865 3.626 ( 0.000 0.272 0.000) 0.272 3.641 ( 0.000 -0.580 0.000) 0.580 3.665 ( 0.000 0.572 0.000) 0.572 3.677 ( 0.000 -0.036 0.000) 0.036 3.784 ( 0.000 0.107 0.000) 0.107 3.788 ( 0.000 -0.051 0.000) 0.051 3.831 ( 0.000 0.273 0.000) 0.273 3.846 ( 0.000 -0.392 0.000) 0.392 3.886 ( 0.000 0.337 0.000) 0.337 3.905 ( 0.000 -0.409 0.000) 0.409 3.947 ( 0.000 0.063 0.000) 0.063 3.947 ( 0.000 0.071 0.000) 0.071 4.152 ( 0.000 0.780 0.000) 0.780 4.186 ( 0.000 -0.596 0.000) 0.596 4.530 ( 0.000 0.344 0.000) 0.344 4.545 ( 0.000 -0.272 0.000) 0.272 4.602 ( 0.000 1.904 0.000) 1.904 4.692 ( 0.000 1.184 0.000) 1.184 4.699 ( 0.000 -2.289 0.000) 2.289 4.745 ( 0.000 -0.830 0.000) 0.830 5.026 ( 0.000 0.146 0.000) 0.146 5.033 ( 0.000 -0.128 0.000) 0.128 5.196 ( 0.000 0.357 0.000) 0.357 5.216 ( 0.000 -0.471 0.000) 0.471 5.389 ( 0.000 0.092 0.000) 0.092 5.394 ( 0.000 -0.078 0.000) 0.078 5.953 ( 0.000 0.087 0.000) 0.087 5.958 ( 0.000 -0.132 0.000) 0.132 6.717 ( 0.000 0.055 0.000) 0.055 6.717 ( 0.000 0.058 0.000) 0.058 6.772 ( 0.000 0.036 0.000) 0.036 6.776 ( 0.000 -0.126 0.000) 0.126 6.846 ( 0.000 0.058 0.000) 0.058 6.853 ( 0.000 -0.234 0.000) 0.234 6.899 ( 0.000 0.547 0.000) 0.547 6.911 ( 0.000 -0.010 0.000) 0.010 7.030 ( 0.000 0.438 0.000) 0.438 7.050 ( 0.000 0.073 0.000) 0.073 7.051 ( 0.000 -0.185 0.000) 0.185 7.057 ( 0.000 -0.435 0.000) 0.435 7.261 ( 0.000 0.202 0.000) 0.202 7.273 ( 0.000 -0.298 0.000) 0.298 7.416 ( 0.000 0.834 0.000) 0.834 7.457 ( 0.000 -0.851 0.000) 0.851 7.591 ( 0.000 0.575 0.000) 0.575 7.618 ( 0.000 -0.527 0.000) 0.527 8.005 ( 0.000 0.610 0.000) 0.610 8.036 ( 0.000 -0.683 0.000) 0.683 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 6.069 12.657 2.832) 14.320 0.449 ( 16.891 6.188 0.156) 17.990 0.658 ( 15.023 -2.486 -0.065) 15.228 0.686 ( 20.150 6.056 18.410) 27.957 0.816 ( 7.962 -6.707 6.765) 12.416 0.964 ( 0.879 -6.042 3.374) 6.976 1.162 ( -0.371 0.171 1.738) 1.786 1.176 ( -0.492 -0.175 2.497) 2.551 1.274 ( -1.934 1.833 -1.505) 3.061 1.293 ( -1.350 2.005 -4.050) 4.716 1.373 ( -1.872 -2.140 -0.225) 2.852 1.395 ( -1.139 -1.446 -1.038) 2.113 1.536 ( -7.477 -1.058 -6.963) 10.271 1.556 ( -4.904 -1.041 -8.605) 9.959 1.613 ( -4.425 1.969 -6.226) 7.888 1.661 ( 0.742 4.716 0.349) 4.787 1.708 ( -4.947 -1.808 -1.079) 5.376 1.858 ( 0.256 -1.201 -2.512) 2.796 1.897 ( 0.913 -1.791 1.817) 2.710 1.916 ( 1.436 -0.919 2.073) 2.684 1.957 ( 4.843 0.763 1.047) 5.014 2.018 ( 6.672 -2.299 2.393) 7.452 2.141 ( 3.785 1.509 2.486) 4.773 2.143 ( 4.070 0.821 10.951) 11.712 2.196 ( 3.598 0.026 5.090) 6.234 2.204 ( 3.806 0.551 3.709) 5.343 2.267 ( -1.769 0.395 -1.632) 2.439 2.308 ( 0.518 -1.422 -0.460) 1.582 2.437 ( -1.383 1.429 -0.787) 2.138 2.490 ( -1.346 1.182 -3.406) 3.848 2.542 ( -0.350 0.798 -2.244) 2.407 2.572 ( 0.883 -0.600 -0.911) 1.404 2.625 ( 1.567 0.953 -2.279) 2.926 2.712 ( -2.699 -1.002 -3.466) 4.506 2.714 ( -3.659 -0.115 -2.868) 4.651 2.738 ( -2.401 -1.553 3.041) 4.174 2.828 ( -2.834 0.192 -4.307) 5.159 2.839 ( -1.487 0.091 -4.309) 4.559 2.854 ( -1.355 -0.483 -0.968) 1.733 2.892 ( -0.376 -1.501 -1.398) 2.086 2.938 ( -1.262 0.797 0.676) 1.639 2.959 ( -1.216 0.011 1.350) 1.817 2.968 ( -0.369 1.295 -0.724) 1.528 3.012 ( 1.257 -0.761 -0.003) 1.470 3.076 ( -0.089 0.228 1.596) 1.614 3.082 ( 0.542 0.068 1.118) 1.244 3.115 ( -0.345 0.325 0.502) 0.690 3.126 ( -0.678 -0.065 -0.756) 1.018 3.172 ( -0.997 0.209 -1.394) 1.727 3.196 ( -0.389 -0.656 -0.958) 1.224 3.272 ( 1.168 0.508 1.025) 1.635 3.279 ( -0.747 0.480 0.235) 0.919 3.302 ( 0.146 0.993 0.826) 1.299 3.343 ( 1.212 -0.087 -0.458) 1.299 3.356 ( -0.043 0.298 -1.180) 1.218 3.418 ( -0.188 -2.289 -1.105) 2.549 3.476 ( -1.479 0.146 -2.328) 2.762 3.477 ( -1.248 0.121 -2.180) 2.515 3.563 ( -0.739 0.454 -2.108) 2.279 3.593 ( -0.564 -1.332 -1.681) 2.218 3.635 ( 0.447 0.494 -0.347) 0.751 3.653 ( 0.744 -0.362 0.757) 1.122 3.684 ( 0.779 0.195 0.527) 0.960 3.699 ( 1.228 -0.484 0.773) 1.530 3.748 ( -2.891 0.421 1.422) 3.249 3.762 ( -2.507 -0.025 0.802) 2.632 3.871 ( 1.295 0.141 1.509) 1.994 3.880 ( 0.330 -0.180 0.623) 0.727 3.882 ( 1.466 0.022 -0.923) 1.732 3.887 ( 1.149 -0.068 -1.571) 1.947 3.949 ( 0.099 0.090 0.005) 0.134 3.951 ( 0.228 0.036 0.116) 0.259 4.159 ( 0.421 0.739 1.012) 1.322 4.191 ( 0.235 -0.613 0.960) 1.163 4.508 ( -1.144 0.855 -1.275) 1.915 4.529 ( -0.548 -0.200 -2.156) 2.233 4.611 ( 0.230 1.575 1.155) 1.967 4.650 ( -1.116 1.549 -0.602) 2.002 4.715 ( 0.631 -0.949 0.002) 1.139 4.750 ( 0.235 -1.255 0.957) 1.596 5.028 ( 0.138 0.162 0.321) 0.385 5.036 ( 0.160 -0.140 0.419) 0.470 5.167 ( -1.865 0.167 -1.649) 2.495 5.184 ( -2.079 -0.442 -1.721) 2.735 5.419 ( 1.908 0.270 1.453) 2.414 5.438 ( 1.909 -0.790 1.160) 2.369 5.982 ( 1.366 0.219 2.391) 2.763 6.023 ( 2.083 -2.636 4.671) 5.754 6.690 ( -1.828 0.264 -1.904) 2.653 6.700 ( -1.070 -0.187 -1.328) 1.716 6.739 ( -3.287 0.172 -3.580) 4.863 6.744 ( -2.908 -0.112 -2.946) 4.141 6.791 ( -1.366 0.379 -0.933) 1.697 6.811 ( -1.196 -0.493 -1.160) 1.738 6.893 ( -1.737 0.071 -3.063) 3.522 6.901 ( -1.307 -0.104 -2.313) 2.658 7.032 ( 2.668 0.344 1.088) 2.901 7.049 ( 1.563 -0.695 1.561) 2.316 7.139 ( 3.459 0.379 6.403) 7.288 7.154 ( 3.479 -0.389 5.811) 6.784 7.269 ( 0.056 0.101 1.336) 1.341 7.279 ( 0.281 -0.277 0.854) 0.941 7.414 ( 0.064 0.720 -0.948) 1.192 7.447 ( -0.409 -0.545 -0.846) 1.086 7.599 ( 0.308 0.390 1.328) 1.418 7.622 ( 0.067 -0.502 0.946) 1.073 8.000 ( -0.536 0.626 0.107) 0.831 8.032 ( -0.464 -0.691 0.053) 0.833 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 9.768 6.113 7.127) 13.549 0.740 ( 13.272 3.930 1.117) 13.887 0.886 ( 1.165 -7.446 -0.722) 7.571 0.905 ( 10.889 -3.157 -1.620) 11.452 1.085 ( -0.768 1.148 1.267) 1.875 1.107 ( 2.023 -0.082 -0.166) 2.032 1.176 ( -3.100 0.302 -0.521) 3.158 1.188 ( -4.649 -0.221 -4.404) 6.408 1.242 ( 6.674 1.193 9.914) 12.010 1.283 ( 5.889 0.021 9.591) 11.255 1.293 ( 0.435 -0.068 6.752) 6.766 1.347 ( -3.291 -0.892 -6.553) 7.387 1.389 ( -0.762 -0.213 -8.871) 8.906 1.444 ( 4.449 -2.431 4.129) 6.539 1.602 ( 0.326 1.687 1.820) 2.503 1.631 ( -1.660 2.799 3.674) 4.908 1.711 ( 2.724 0.563 -0.576) 2.840 1.807 ( -3.035 1.025 -1.750) 3.650 1.862 ( -3.548 -0.187 -0.766) 3.635 1.929 ( -0.064 -3.312 0.975) 3.453 2.086 ( -2.811 0.092 -7.392) 7.909 2.110 ( -0.080 -0.095 -5.257) 5.259 2.196 ( 2.324 -0.116 -1.404) 2.718 2.221 ( 2.829 -0.654 -1.917) 3.479 2.249 ( 4.173 1.568 1.870) 4.834 2.275 ( 3.250 0.424 0.293) 3.290 2.281 ( 2.494 0.816 5.376) 5.982 2.354 ( 0.559 -0.239 7.705) 7.729 2.398 ( -0.758 0.134 -1.370) 1.572 2.446 ( 0.875 -1.027 -3.595) 3.839 2.513 ( -1.503 -0.025 -1.481) 2.110 2.561 ( -2.334 -0.618 -1.058) 2.636 2.614 ( -3.515 1.658 0.707) 3.951 2.626 ( -2.783 0.252 -1.400) 3.125 2.631 ( -2.147 0.370 0.961) 2.381 2.736 ( -0.560 -1.811 2.587) 3.208 2.739 ( -0.330 0.874 -4.815) 4.905 2.812 ( 1.877 -1.405 -3.425) 4.151 2.853 ( 0.151 0.063 -0.127) 0.207 2.867 ( -1.597 -0.254 -1.222) 2.027 2.921 ( -1.341 0.845 1.015) 1.882 2.939 ( -1.641 -0.107 0.899) 1.874 2.959 ( -0.107 1.036 0.530) 1.169 3.015 ( -0.274 -1.143 -0.363) 1.231 3.067 ( -1.940 -0.293 -2.240) 2.978 3.073 ( -1.644 -0.449 -1.996) 2.625 3.111 ( 0.452 0.613 0.986) 1.246 3.132 ( 0.756 -0.221 0.947) 1.232 3.150 ( 0.456 0.599 0.942) 1.206 3.189 ( 0.262 -0.876 0.653) 1.123 3.249 ( -1.519 1.087 -0.770) 2.021 3.270 ( -1.326 -0.122 -1.559) 2.050 3.312 ( 0.101 1.390 -1.261) 1.879 3.381 ( 2.009 -0.108 0.033) 2.012 3.387 ( 2.924 0.106 1.168) 3.150 3.396 ( -0.381 -1.433 -0.728) 1.652 3.446 ( -0.246 0.129 -0.800) 0.847 3.453 ( -0.340 -0.113 -0.429) 0.559 3.526 ( -0.888 0.305 -2.528) 2.696 3.559 ( -0.905 -1.313 -1.843) 2.437 3.635 ( -0.235 0.425 -0.752) 0.895 3.653 ( -1.118 -0.411 -0.321) 1.234 3.676 ( -3.424 0.444 1.201) 3.656 3.686 ( -2.261 0.014 1.338) 2.627 3.732 ( 0.105 0.392 -0.141) 0.430 3.746 ( 0.949 -0.167 0.519) 1.094 3.874 ( 0.365 -0.063 -0.283) 0.466 3.876 ( 0.337 -0.099 -0.220) 0.415 3.920 ( 1.163 0.003 -0.366) 1.220 3.921 ( 1.676 -0.042 -0.098) 1.679 3.948 ( -0.214 0.153 0.046) 0.267 3.953 ( -0.125 -0.053 0.042) 0.142 4.186 ( 0.995 0.424 2.044) 2.312 4.206 ( 0.263 -0.423 1.474) 1.556 4.478 ( -1.000 0.856 -1.373) 1.902 4.505 ( -0.332 -0.371 -1.690) 1.762 4.621 ( 0.034 1.375 0.549) 1.481 4.638 ( -0.177 0.885 -0.238) 0.934 4.724 ( 0.119 -0.325 0.499) 0.607 4.766 ( 0.482 -1.785 1.031) 2.117 5.038 ( 0.575 0.170 0.829) 1.023 5.046 ( 0.440 -0.127 0.762) 0.889 5.115 ( -2.083 0.259 -1.939) 2.857 5.133 ( -1.787 -0.457 -1.719) 2.521 5.458 ( 1.182 0.253 0.845) 1.475 5.470 ( 0.837 -0.262 0.780) 1.174 6.030 ( 1.406 0.676 2.729) 3.143 6.081 ( 1.138 -1.638 3.554) 4.075 6.630 ( -2.772 0.745 -2.896) 4.077 6.646 ( -3.433 -0.081 -3.846) 5.156 6.656 ( -1.759 -0.043 -2.431) 3.001 6.671 ( -1.020 -0.543 -1.341) 1.770 6.781 ( -0.279 0.161 0.627) 0.705 6.788 ( -0.991 -0.155 -0.409) 1.083 6.848 ( -0.716 0.173 -1.699) 1.852 6.854 ( -1.331 -0.036 -2.317) 2.672 7.084 ( 0.834 0.017 1.199) 1.461 7.086 ( 1.586 -0.027 1.240) 2.013 7.246 ( 2.996 -0.050 4.536) 5.436 7.250 ( 2.454 -0.146 4.154) 4.827 7.280 ( 0.203 0.290 1.494) 1.535 7.294 ( 0.466 -0.273 1.117) 1.241 7.403 ( -0.146 0.579 -1.603) 1.711 7.429 ( -0.647 -0.484 -1.449) 1.659 7.616 ( 0.230 0.233 1.363) 1.402 7.633 ( 0.169 -0.433 1.021) 1.122 7.990 ( -0.557 0.665 0.075) 0.870 8.023 ( -0.463 -0.705 0.031) 0.844 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.000 1.971 -0.000) 1.971 0.843 ( 0.000 -1.620 0.000) 1.620 0.913 ( 0.000 3.142 0.000) 3.142 0.915 ( -0.000 -0.751 -0.000) 0.751 1.058 ( 0.000 -1.814 0.000) 1.814 1.067 ( 0.000 -3.483 -0.000) 3.483 1.097 ( -0.000 1.104 -0.000) 1.104 1.125 ( 0.000 -0.304 0.000) 0.304 1.257 ( 0.000 -1.316 0.000) 1.316 1.282 ( 0.000 -1.569 0.000) 1.569 1.302 ( 0.000 1.371 -0.000) 1.371 1.385 ( 0.000 -2.125 -0.000) 2.125 1.587 ( 0.000 3.826 0.000) 3.826 1.649 ( 0.000 -0.101 0.000) 0.101 1.660 ( 0.000 0.380 0.000) 0.380 1.678 ( 0.000 -1.129 0.000) 1.129 1.686 ( -0.000 3.011 -0.000) 3.011 1.767 ( 0.000 0.921 0.000) 0.921 1.847 ( 0.000 0.683 0.000) 0.683 1.862 ( -0.000 -0.239 -0.000) 0.239 1.885 ( 0.000 -0.616 0.000) 0.616 1.951 ( 0.000 -3.316 0.000) 3.316 2.264 ( 0.000 3.126 0.000) 3.126 2.289 ( 0.000 1.798 0.000) 1.798 2.309 ( 0.000 0.331 0.000) 0.331 2.324 ( 0.000 0.030 0.000) 0.030 2.368 ( -0.000 0.082 -0.000) 0.082 2.383 ( 0.000 -0.147 0.000) 0.147 2.414 ( 0.000 0.937 0.000) 0.937 2.431 ( -0.000 -2.239 0.000) 2.239 2.462 ( 0.000 -3.554 0.000) 3.554 2.464 ( 0.000 -1.240 0.000) 1.240 2.590 ( 0.000 1.892 0.000) 1.892 2.610 ( 0.000 -0.054 0.000) 0.054 2.615 ( 0.000 1.543 0.000) 1.543 2.739 ( 0.000 -2.522 0.000) 2.522 2.744 ( 0.000 1.703 -0.000) 1.703 2.822 ( 0.000 -1.168 -0.000) 1.168 2.840 ( -0.000 0.870 0.000) 0.870 2.850 ( 0.000 -0.390 0.000) 0.390 2.910 ( 0.000 0.908 0.000) 0.908 2.924 ( 0.000 0.308 0.000) 0.308 2.966 ( 0.000 0.297 0.000) 0.297 3.019 ( -0.000 -1.406 -0.000) 1.406 3.023 ( 0.000 -0.034 0.000) 0.034 3.035 ( 0.000 -0.675 0.000) 0.675 3.125 ( 0.000 0.476 0.000) 0.476 3.136 ( 0.000 -0.055 0.000) 0.055 3.186 ( 0.000 0.199 0.000) 0.199 3.207 ( 0.000 -0.632 -0.000) 0.632 3.222 ( 0.000 0.722 0.000) 0.722 3.236 ( 0.000 -0.069 0.000) 0.069 3.302 ( 0.000 1.512 0.000) 1.512 3.365 ( 0.000 -1.038 0.000) 1.038 3.429 ( 0.000 0.524 0.000) 0.524 3.435 ( 0.000 0.053 0.000) 0.053 3.441 ( 0.000 -0.270 0.000) 0.270 3.448 ( 0.000 -0.175 0.000) 0.175 3.504 ( 0.000 0.313 -0.000) 0.313 3.546 ( 0.000 -1.803 0.000) 1.803 3.616 ( 0.000 0.398 0.000) 0.398 3.633 ( 0.000 -0.107 -0.000) 0.107 3.640 ( 0.000 0.974 0.000) 0.974 3.671 ( 0.000 -0.450 0.000) 0.450 3.737 ( 0.000 0.567 0.000) 0.567 3.758 ( 0.000 -0.330 0.000) 0.330 3.879 ( 0.000 -0.117 0.000) 0.117 3.881 ( 0.000 -0.143 0.000) 0.143 3.926 ( 0.000 0.292 0.000) 0.292 3.938 ( 0.000 -0.280 0.000) 0.280 3.947 ( 0.000 0.145 0.000) 0.145 3.949 ( 0.000 0.011 -0.000) 0.011 4.207 ( 0.000 0.147 0.000) 0.147 4.215 ( 0.000 -0.215 0.000) 0.215 4.461 ( 0.000 0.961 0.000) 0.961 4.495 ( 0.000 -0.573 0.000) 0.573 4.622 ( 0.000 1.346 0.000) 1.346 4.636 ( 0.000 0.695 0.000) 0.695 4.727 ( 0.000 -0.098 0.000) 0.098 4.775 ( 0.000 -1.932 0.000) 1.932 5.056 ( 0.000 -0.026 0.000) 0.026 5.059 ( -0.000 -0.114 -0.000) 0.114 5.075 ( 0.000 0.654 0.000) 0.654 5.105 ( 0.000 -0.602 0.000) 0.602 5.472 ( 0.000 0.203 -0.000) 0.203 5.481 ( 0.000 -0.151 0.000) 0.151 6.057 ( 0.000 0.846 0.000) 0.846 6.109 ( 0.000 -1.351 0.000) 1.351 6.586 ( 0.000 0.444 0.000) 0.444 6.593 ( 0.000 0.034 0.000) 0.034 6.633 ( 0.000 0.227 0.000) 0.227 6.656 ( 0.000 -0.591 0.000) 0.591 6.775 ( 0.000 0.072 0.000) 0.072 6.783 ( 0.000 -0.237 0.000) 0.237 6.830 ( 0.000 0.323 0.000) 0.323 6.838 ( 0.000 -0.017 0.000) 0.017 7.096 ( 0.000 0.250 0.000) 0.250 7.105 ( 0.000 -0.121 0.000) 0.121 7.277 ( 0.000 0.178 0.000) 0.178 7.290 ( 0.000 -0.448 0.000) 0.448 7.304 ( 0.000 0.186 0.000) 0.186 7.311 ( 0.000 -0.196 0.000) 0.196 7.392 ( 0.000 0.485 0.000) 0.485 7.412 ( 0.000 -0.360 0.000) 0.360 7.623 ( 0.000 0.231 0.000) 0.231 7.639 ( 0.000 -0.408 0.000) 0.408 7.985 ( 0.000 0.689 -0.000) 0.689 8.018 ( 0.000 -0.714 0.000) 0.714 ======================= Grid point 14 (9/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 0.000 -7.817 0.000) 7.817 0.383 ( 0.000 7.817 0.000) 7.817 0.514 ( 0.000 -11.207 0.000) 11.207 0.514 ( 0.000 11.207 0.000) 11.207 0.725 ( 0.000 -15.506 0.000) 15.506 0.725 ( 0.000 15.506 0.000) 15.506 1.163 ( 0.000 -0.432 0.000) 0.432 1.163 ( 0.000 0.432 0.000) 0.432 1.328 ( 0.000 -2.351 0.000) 2.351 1.328 ( 0.000 2.351 0.000) 2.351 1.391 ( 0.000 -3.139 0.000) 3.139 1.391 ( 0.000 3.139 0.000) 3.139 1.664 ( 0.000 -1.604 0.000) 1.604 1.664 ( 0.000 1.604 0.000) 1.604 1.702 ( 0.000 -2.977 0.000) 2.977 1.702 ( 0.000 2.977 0.000) 2.977 1.764 ( 0.000 -4.058 0.000) 4.058 1.764 ( 0.000 4.058 0.000) 4.058 1.888 ( 0.000 -1.533 0.000) 1.533 1.888 ( 0.000 1.533 0.000) 1.533 1.920 ( 0.000 -1.320 0.000) 1.320 1.920 ( 0.000 1.320 0.000) 1.320 2.042 ( 0.000 -0.462 0.000) 0.462 2.042 ( 0.000 0.462 0.000) 0.462 2.167 ( 0.000 -2.446 0.000) 2.446 2.167 ( 0.000 2.446 0.000) 2.446 2.290 ( 0.000 -0.067 0.000) 0.067 2.290 ( 0.000 0.067 0.000) 0.067 2.493 ( 0.000 -2.957 0.000) 2.957 2.493 ( 0.000 2.957 0.000) 2.957 2.564 ( 0.000 -1.456 0.000) 1.456 2.564 ( 0.000 1.456 0.000) 1.456 2.666 ( 0.000 -4.529 0.000) 4.529 2.666 ( 0.000 4.529 0.000) 4.529 2.759 ( 0.000 -1.139 0.000) 1.139 2.759 ( 0.000 1.139 0.000) 1.139 2.876 ( 0.000 -0.469 0.000) 0.469 2.876 ( 0.000 0.469 0.000) 0.469 2.887 ( 0.000 -0.354 0.000) 0.354 2.887 ( 0.000 0.354 0.000) 0.354 2.972 ( 0.000 -0.240 0.000) 0.240 2.972 ( 0.000 0.240 0.000) 0.240 2.982 ( 0.000 -0.138 0.000) 0.138 2.982 ( 0.000 0.138 0.000) 0.138 3.073 ( 0.000 -0.131 0.000) 0.131 3.073 ( 0.000 0.131 0.000) 0.131 3.121 ( 0.000 -0.810 0.000) 0.810 3.121 ( 0.000 0.810 0.000) 0.810 3.192 ( 0.000 -0.493 0.000) 0.493 3.192 ( 0.000 0.493 0.000) 0.493 3.267 ( 0.000 -0.513 0.000) 0.513 3.267 ( 0.000 0.513 0.000) 0.513 3.336 ( 0.000 -0.598 0.000) 0.598 3.336 ( 0.000 0.598 0.000) 0.598 3.377 ( 0.000 -1.678 0.000) 1.678 3.377 ( 0.000 1.678 0.000) 1.678 3.510 ( 0.000 -0.062 0.000) 0.062 3.510 ( 0.000 0.062 0.000) 0.062 3.586 ( 0.000 -1.046 0.000) 1.046 3.586 ( 0.000 1.046 0.000) 1.046 3.632 ( 0.000 -0.388 0.000) 0.388 3.632 ( 0.000 0.388 0.000) 0.388 3.673 ( 0.000 -0.335 0.000) 0.335 3.673 ( 0.000 0.335 0.000) 0.335 3.786 ( 0.000 -0.116 0.000) 0.116 3.786 ( 0.000 0.116 0.000) 0.116 3.838 ( 0.000 -0.435 0.000) 0.435 3.838 ( 0.000 0.435 0.000) 0.435 3.895 ( 0.000 -0.537 0.000) 0.537 3.895 ( 0.000 0.537 0.000) 0.537 3.948 ( 0.000 -0.022 0.000) 0.022 3.948 ( 0.000 0.022 0.000) 0.022 4.170 ( 0.000 -0.977 0.000) 0.977 4.170 ( 0.000 0.977 0.000) 0.977 4.538 ( 0.000 -0.435 0.000) 0.435 4.538 ( 0.000 0.435 0.000) 0.435 4.648 ( 0.000 -2.800 0.000) 2.800 4.648 ( 0.000 2.800 0.000) 2.800 4.720 ( 0.000 -1.599 0.000) 1.599 4.720 ( 0.000 1.599 0.000) 1.599 5.030 ( 0.000 -0.187 0.000) 0.187 5.030 ( 0.000 0.187 0.000) 0.187 5.205 ( 0.000 -0.582 0.000) 0.582 5.205 ( 0.000 0.582 0.000) 0.582 5.392 ( 0.000 -0.126 0.000) 0.126 5.392 ( 0.000 0.126 0.000) 0.126 5.955 ( 0.000 -0.148 0.000) 0.148 5.955 ( 0.000 0.148 0.000) 0.148 6.717 ( 0.000 -0.009 0.000) 0.009 6.717 ( 0.000 0.009 0.000) 0.009 6.773 ( 0.000 -0.117 0.000) 0.117 6.773 ( 0.000 0.117 0.000) 0.117 6.848 ( 0.000 -0.224 0.000) 0.224 6.848 ( 0.000 0.224 0.000) 0.224 6.908 ( 0.000 -0.358 0.000) 0.358 6.908 ( 0.000 0.358 0.000) 0.358 7.042 ( 0.000 -0.697 0.000) 0.697 7.042 ( 0.000 0.697 0.000) 0.697 7.052 ( 0.000 -0.123 0.000) 0.123 7.052 ( 0.000 0.123 0.000) 0.123 7.266 ( 0.000 -0.357 0.000) 0.357 7.266 ( 0.000 0.357 0.000) 0.357 7.436 ( 0.000 -1.193 0.000) 1.193 7.436 ( 0.000 1.193 0.000) 1.193 7.605 ( 0.000 -0.778 0.000) 0.778 7.605 ( 0.000 0.778 0.000) 0.778 8.020 ( 0.000 -0.917 0.000) 0.917 8.020 ( 0.000 0.917 0.000) 0.917 ======================= Grid point 16 (10/60) ======================= q-point: ( 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 14.648 -5.802 -0.273) 15.757 0.571 ( 14.648 5.802 -0.273) 15.757 0.635 ( 6.136 -11.574 0.829) 13.126 0.635 ( 6.136 11.574 0.829) 13.126 0.828 ( 10.234 -7.930 13.429) 18.653 0.828 ( 10.234 7.930 13.429) 18.653 1.168 ( -0.386 -0.467 2.091) 2.177 1.168 ( -0.386 0.467 2.091) 2.177 1.318 ( -1.683 -1.946 -1.553) 3.005 1.318 ( -1.683 1.946 -1.553) 3.005 1.350 ( -2.192 -2.242 -1.974) 3.705 1.350 ( -2.192 2.242 -1.974) 3.705 1.537 ( -6.849 -0.846 -8.713) 11.115 1.537 ( -6.849 0.846 -8.713) 11.115 1.655 ( -2.751 -2.357 -3.643) 5.137 1.655 ( -2.751 2.357 -3.643) 5.137 1.775 ( 0.059 -5.712 2.287) 6.153 1.775 ( 0.059 5.712 2.287) 6.153 1.901 ( 0.524 -0.737 0.313) 0.956 1.901 ( 0.524 0.737 0.313) 0.956 1.978 ( 6.125 -1.613 1.682) 6.553 1.978 ( 6.125 1.613 1.682) 6.553 2.152 ( 4.207 -0.213 7.801) 8.865 2.152 ( 4.207 0.213 7.801) 8.865 2.207 ( 3.389 -0.577 2.855) 4.468 2.207 ( 3.389 0.577 2.855) 4.468 2.279 ( -1.133 -1.234 -0.319) 1.706 2.279 ( -1.133 1.234 -0.319) 1.706 2.478 ( -1.134 -2.149 -2.667) 3.608 2.478 ( -1.134 2.149 -2.667) 3.608 2.558 ( 0.338 -0.803 -2.541) 2.687 2.558 ( 0.338 0.803 -2.541) 2.687 2.668 ( 0.260 -2.979 -0.610) 3.051 2.668 ( 0.260 2.979 -0.610) 3.051 2.717 ( -3.547 -0.550 -1.306) 3.820 2.717 ( -3.547 0.550 -1.306) 3.820 2.834 ( -3.599 -0.408 -3.306) 4.904 2.834 ( -3.599 0.408 -3.306) 4.904 2.863 ( 0.336 -1.231 -1.729) 2.149 2.863 ( 0.336 1.231 -1.729) 2.149 2.950 ( -1.310 -0.518 0.667) 1.558 2.950 ( -1.310 0.518 0.667) 1.558 2.996 ( 0.217 -1.167 -0.097) 1.191 2.996 ( 0.217 1.167 -0.097) 1.191 3.080 ( 0.159 -0.174 1.461) 1.479 3.080 ( 0.159 0.174 1.461) 1.479 3.122 ( -0.502 -0.351 0.003) 0.612 3.122 ( -0.502 0.351 0.003) 0.612 3.182 ( -0.724 -0.759 -1.297) 1.668 3.182 ( -0.724 0.759 -1.297) 1.668 3.280 ( 0.627 -0.275 0.481) 0.837 3.280 ( 0.627 0.275 0.481) 0.837 3.330 ( -0.101 -1.373 0.926) 1.660 3.330 ( -0.101 1.373 0.926) 1.660 3.375 ( 0.402 -1.799 -1.451) 2.346 3.375 ( 0.402 1.799 -1.451) 2.346 3.478 ( -1.365 -0.062 -2.337) 2.708 3.478 ( -1.365 0.062 -2.337) 2.708 3.574 ( -0.996 -0.756 -1.879) 2.257 3.574 ( -0.996 0.756 -1.879) 2.257 3.644 ( 0.714 -0.523 0.198) 0.907 3.644 ( 0.714 0.523 0.198) 0.907 3.691 ( 0.906 -0.408 1.085) 1.472 3.691 ( 0.906 0.408 1.085) 1.472 3.757 ( -2.587 -0.437 1.137) 2.859 3.757 ( -2.587 0.437 1.137) 2.859 3.876 ( 0.886 -0.284 1.601) 1.852 3.876 ( 0.886 0.284 1.601) 1.852 3.884 ( 1.162 -0.158 -1.731) 2.091 3.884 ( 1.162 0.158 -1.731) 2.091 3.951 ( 0.154 -0.048 0.066) 0.174 3.951 ( 0.154 0.048 0.066) 0.174 4.176 ( 0.306 -0.943 0.955) 1.377 4.176 ( 0.306 0.943 0.955) 1.377 4.522 ( -0.886 -0.559 -1.456) 1.794 4.522 ( -0.886 0.559 -1.456) 1.794 4.648 ( -0.088 -1.783 -0.096) 1.788 4.648 ( -0.088 1.783 -0.096) 1.788 4.720 ( -0.011 -1.532 0.714) 1.690 4.720 ( -0.011 1.532 0.714) 1.690 5.032 ( 0.152 -0.215 0.371) 0.455 5.032 ( 0.152 0.215 0.371) 0.455 5.174 ( -2.004 -0.516 -1.692) 2.673 5.174 ( -2.004 0.516 -1.692) 2.673 5.426 ( 2.011 -0.480 1.472) 2.538 5.426 ( 2.011 0.480 1.472) 2.538 5.991 ( 1.952 -0.894 3.085) 3.758 5.991 ( 1.952 0.894 3.085) 3.758 6.696 ( -1.418 -0.296 -1.556) 2.126 6.696 ( -1.418 0.296 -1.556) 2.126 6.742 ( -3.124 -0.132 -3.353) 4.585 6.742 ( -3.124 0.132 -3.353) 4.585 6.800 ( -1.294 -0.546 -1.032) 1.743 6.800 ( -1.294 0.546 -1.032) 1.743 6.897 ( -1.447 -0.268 -2.657) 3.037 6.897 ( -1.447 0.268 -2.657) 3.037 7.039 ( 2.087 -0.413 1.267) 2.476 7.039 ( 2.087 0.413 1.267) 2.476 7.146 ( 3.476 -0.409 6.150) 7.076 7.146 ( 3.476 0.409 6.150) 7.076 7.273 ( 0.231 -0.312 1.009) 1.081 7.273 ( 0.231 0.312 1.009) 1.081 7.431 ( -0.170 -1.025 -0.883) 1.363 7.431 ( -0.170 1.025 -0.883) 1.363 7.610 ( 0.143 -0.705 1.058) 1.280 7.610 ( 0.143 0.705 1.058) 1.280 8.016 ( -0.499 -0.926 0.090) 1.056 8.016 ( -0.499 0.926 0.090) 1.056 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 5.245 -8.962 1.498) 10.491 0.723 ( 5.245 8.962 1.498) 10.492 0.828 ( 11.929 -4.778 0.236) 12.852 0.828 ( 11.929 4.778 0.236) 12.852 1.101 ( -0.120 -0.659 1.272) 1.438 1.101 ( -0.120 0.659 1.272) 1.438 1.182 ( -3.628 -0.285 -3.402) 4.982 1.182 ( -3.628 0.285 -3.402) 4.982 1.262 ( 1.519 -1.391 5.962) 6.308 1.262 ( 1.519 1.391 5.962) 6.308 1.328 ( 2.027 -2.001 4.763) 5.549 1.328 ( 2.027 2.001 4.763) 5.549 1.396 ( 2.465 -1.559 -2.802) 4.045 1.396 ( 2.465 1.559 -2.802) 4.045 1.632 ( 0.251 -1.490 2.107) 2.593 1.632 ( 0.251 1.490 2.107) 2.593 1.784 ( -0.036 -4.260 -0.165) 4.264 1.784 ( -0.036 4.260 -0.165) 4.264 1.870 ( -2.506 -1.679 -0.092) 3.018 1.870 ( -2.506 1.679 -0.092) 3.018 2.097 ( -1.945 -0.971 -7.053) 7.381 2.097 ( -1.945 0.971 -7.053) 7.381 2.205 ( 3.725 -0.856 -0.474) 3.852 2.205 ( 3.725 0.856 -0.474) 3.852 2.265 ( 4.116 -0.485 2.033) 4.616 2.265 ( 4.116 0.485 2.033) 4.616 2.327 ( 1.455 -2.432 6.734) 7.306 2.327 ( 1.455 2.432 6.734) 7.306 2.419 ( -1.013 -1.632 -4.137) 4.561 2.419 ( -1.013 1.632 -4.137) 4.561 2.529 ( -2.574 -1.692 -2.133) 3.747 2.529 ( -2.574 1.692 -2.133) 3.747 2.627 ( -2.669 -0.069 -0.504) 2.717 2.627 ( -2.669 0.069 -0.504) 2.717 2.681 ( -1.472 -3.456 1.936) 4.226 2.681 ( -1.472 3.456 1.936) 4.226 2.773 ( 0.946 -2.271 -3.262) 4.085 2.773 ( 0.946 2.271 -3.262) 4.085 2.861 ( -0.235 -0.444 -0.526) 0.727 2.861 ( -0.235 0.444 -0.526) 0.727 2.932 ( -1.224 -0.466 1.057) 1.683 2.932 ( -1.224 0.466 1.057) 1.683 2.988 ( -0.525 -1.647 -0.353) 1.764 2.988 ( -0.525 1.647 -0.353) 1.764 3.066 ( -2.040 -0.181 -2.050) 2.898 3.066 ( -2.040 0.181 -2.050) 2.898 3.124 ( 0.595 -0.608 0.940) 1.268 3.124 ( 0.595 0.608 0.940) 1.268 3.168 ( 0.412 -1.162 0.757) 1.447 3.168 ( 0.412 1.162 0.757) 1.447 3.265 ( -1.441 -0.541 -1.367) 2.059 3.265 ( -1.441 0.541 -1.367) 2.059 3.350 ( -0.288 -2.421 -0.470) 2.483 3.350 ( -0.288 2.421 -0.470) 2.483 3.388 ( 2.731 -0.145 0.569) 2.794 3.388 ( 2.731 0.145 0.569) 2.794 3.450 ( -0.299 -0.217 -0.740) 0.827 3.450 ( -0.299 0.217 -0.740) 0.827 3.537 ( -0.927 -0.892 -2.220) 2.565 3.537 ( -0.927 0.892 -2.220) 2.565 3.644 ( -0.737 -0.537 -0.335) 0.972 3.644 ( -0.737 0.537 -0.335) 0.972 3.684 ( -2.848 -0.265 1.212) 3.107 3.684 ( -2.848 0.265 1.212) 3.107 3.740 ( 0.573 -0.412 0.192) 0.732 3.740 ( 0.573 0.412 0.192) 0.732 3.874 ( 0.343 -0.059 -0.334) 0.482 3.874 ( 0.343 0.059 -0.334) 0.482 3.920 ( 1.418 -0.013 -0.127) 1.424 3.920 ( 1.418 0.013 -0.127) 1.424 3.951 ( -0.176 -0.136 0.058) 0.230 3.951 ( -0.176 0.136 0.058) 0.230 4.196 ( 0.610 -0.620 1.713) 1.921 4.196 ( 0.610 0.620 1.713) 1.921 4.494 ( -0.753 -0.771 -1.439) 1.798 4.494 ( -0.753 0.771 -1.439) 1.798 4.645 ( -0.061 -0.637 -0.223) 0.678 4.645 ( -0.061 0.637 -0.223) 0.678 4.731 ( 0.227 -1.381 1.021) 1.733 4.731 ( 0.227 1.381 1.021) 1.733 5.042 ( 0.518 -0.209 0.792) 0.969 5.042 ( 0.518 0.209 0.792) 0.969 5.123 ( -1.910 -0.539 -1.818) 2.691 5.123 ( -1.910 0.539 -1.818) 2.691 5.464 ( 1.055 -0.344 0.840) 1.392 5.464 ( 1.055 0.344 0.840) 1.392 6.050 ( 1.566 -1.435 3.127) 3.780 6.050 ( 1.566 1.435 3.127) 3.780 6.643 ( -3.327 -0.421 -3.604) 4.923 6.643 ( -3.327 0.421 -3.604) 4.923 6.659 ( -1.161 -0.496 -1.636) 2.067 6.659 ( -1.161 0.496 -1.636) 2.067 6.785 ( -0.648 -0.173 0.128) 0.682 6.785 ( -0.648 0.173 0.128) 0.682 6.852 ( -0.997 -0.184 -2.023) 2.263 6.852 ( -0.997 0.184 -2.023) 2.263 7.085 ( 1.285 -0.075 1.262) 1.802 7.085 ( 1.285 0.075 1.262) 1.802 7.247 ( 2.649 -0.118 4.285) 5.039 7.247 ( 2.649 0.118 4.285) 5.039 7.287 ( 0.381 -0.388 1.351) 1.456 7.287 ( 0.381 0.388 1.351) 1.456 7.417 ( -0.401 -0.776 -1.525) 1.757 7.417 ( -0.401 0.776 -1.525) 1.757 7.623 ( 0.214 -0.512 1.157) 1.283 7.623 ( 0.214 0.512 1.157) 1.283 8.006 ( -0.506 -0.963 0.062) 1.089 8.006 ( -0.506 0.963 0.062) 1.089 ======================= Grid point 20 (12/60) ======================= q-point: (-0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( -0.000 -0.083 -0.000) 0.083 0.825 ( 0.000 0.083 0.000) 0.083 0.952 ( -0.000 -2.150 0.000) 2.150 0.952 ( 0.000 2.150 0.000) 2.150 1.012 ( -0.000 -1.170 -0.000) 1.170 1.012 ( 0.000 1.170 -0.000) 1.170 1.115 ( 0.000 -0.779 0.000) 0.779 1.115 ( 0.000 0.779 0.000) 0.779 1.255 ( 0.000 -0.959 0.000) 0.959 1.255 ( 0.000 0.959 0.000) 0.959 1.339 ( 0.000 -2.440 0.000) 2.440 1.339 ( 0.000 2.440 0.000) 2.440 1.633 ( 0.000 -1.486 0.000) 1.486 1.633 ( 0.000 1.486 0.000) 1.486 1.667 ( 0.000 -0.316 0.000) 0.316 1.667 ( -0.000 0.316 0.000) 0.316 1.759 ( 0.000 -2.636 0.000) 2.636 1.759 ( 0.000 2.636 0.000) 2.636 1.861 ( 0.000 -0.416 0.000) 0.416 1.861 ( 0.000 0.416 0.000) 0.416 1.885 ( 0.000 -2.067 0.000) 2.067 1.885 ( 0.000 2.067 0.000) 2.067 2.310 ( -0.000 -0.006 0.000) 0.006 2.310 ( 0.000 0.006 -0.000) 0.006 2.325 ( -0.000 -1.428 0.000) 1.428 2.325 ( 0.000 1.428 -0.000) 1.428 2.377 ( 0.000 -1.287 -0.000) 1.287 2.377 ( 0.000 1.287 -0.000) 1.287 2.399 ( 0.000 -1.189 0.000) 1.189 2.399 ( 0.000 1.189 0.000) 1.189 2.438 ( 0.000 -1.259 0.000) 1.259 2.438 ( 0.000 1.259 0.000) 1.259 2.605 ( 0.000 -0.412 0.000) 0.412 2.605 ( 0.000 0.412 0.000) 0.412 2.676 ( 0.000 -3.796 -0.000) 3.796 2.676 ( 0.000 3.796 0.000) 3.796 2.785 ( 0.000 -2.350 0.000) 2.350 2.785 ( 0.000 2.350 0.000) 2.350 2.850 ( 0.000 -0.084 0.000) 0.084 2.850 ( 0.000 0.084 0.000) 0.084 2.923 ( 0.000 -0.473 0.000) 0.473 2.923 ( 0.000 0.473 0.000) 0.473 2.986 ( 0.000 -1.782 0.000) 1.782 2.986 ( 0.000 1.782 -0.000) 1.782 3.024 ( 0.000 -0.274 0.000) 0.274 3.024 ( 0.000 0.274 0.000) 0.274 3.133 ( 0.000 -0.279 0.000) 0.279 3.133 ( 0.000 0.279 0.000) 0.279 3.194 ( 0.000 -0.654 0.000) 0.654 3.194 ( 0.000 0.654 -0.000) 0.654 3.232 ( 0.000 -0.355 0.000) 0.355 3.232 ( 0.000 0.355 0.000) 0.355 3.336 ( 0.000 -1.858 0.000) 1.858 3.336 ( 0.000 1.858 0.000) 1.858 3.436 ( 0.000 -0.205 0.000) 0.205 3.436 ( 0.000 0.205 0.000) 0.205 3.441 ( 0.000 -0.559 0.000) 0.559 3.441 ( -0.000 0.559 -0.000) 0.559 3.517 ( 0.000 -1.108 0.000) 1.108 3.517 ( 0.000 1.108 0.000) 1.108 3.625 ( 0.000 -0.513 0.000) 0.513 3.625 ( 0.000 0.513 0.000) 0.513 3.659 ( 0.000 -0.828 0.000) 0.828 3.659 ( 0.000 0.828 0.000) 0.828 3.749 ( 0.000 -0.632 0.000) 0.632 3.749 ( 0.000 0.632 0.000) 0.632 3.878 ( 0.000 -0.067 0.000) 0.067 3.878 ( 0.000 0.067 0.000) 0.067 3.932 ( 0.000 -0.304 0.000) 0.304 3.932 ( 0.000 0.304 0.000) 0.304 3.948 ( 0.000 -0.042 0.000) 0.042 3.948 ( 0.000 0.042 -0.000) 0.042 4.211 ( 0.000 -0.244 0.000) 0.244 4.211 ( 0.000 0.244 0.000) 0.244 4.480 ( 0.000 -0.970 0.000) 0.970 4.480 ( 0.000 0.970 0.000) 0.970 4.643 ( 0.000 -0.336 0.000) 0.336 4.643 ( 0.000 0.336 0.000) 0.336 4.737 ( 0.000 -1.509 0.000) 1.509 4.737 ( 0.000 1.509 0.000) 1.509 5.057 ( 0.000 -0.098 0.000) 0.098 5.057 ( 0.000 0.098 0.000) 0.098 5.091 ( 0.000 -0.860 0.000) 0.860 5.091 ( 0.000 0.860 0.000) 0.860 5.477 ( 0.000 -0.245 -0.000) 0.245 5.477 ( 0.000 0.245 0.000) 0.245 6.080 ( 0.000 -1.510 0.000) 1.510 6.080 ( 0.000 1.510 0.000) 1.510 6.593 ( 0.000 -0.160 0.000) 0.160 6.593 ( 0.000 0.160 0.000) 0.160 6.643 ( 0.000 -0.728 0.000) 0.728 6.643 ( 0.000 0.728 0.000) 0.728 6.778 ( 0.000 -0.242 0.000) 0.242 6.778 ( 0.000 0.242 0.000) 0.242 6.836 ( 0.000 -0.236 0.000) 0.236 6.836 ( 0.000 0.236 0.000) 0.236 7.101 ( 0.000 -0.269 0.000) 0.269 7.101 ( 0.000 0.269 0.000) 0.269 7.282 ( 0.000 -0.357 0.000) 0.357 7.282 ( 0.000 0.357 -0.000) 0.357 7.307 ( 0.000 -0.175 0.000) 0.175 7.307 ( 0.000 0.175 0.000) 0.175 7.403 ( 0.000 -0.586 0.000) 0.586 7.403 ( 0.000 0.586 0.000) 0.586 7.630 ( 0.000 -0.461 0.000) 0.461 7.630 ( 0.000 0.461 0.000) 0.461 8.001 ( 0.000 -0.988 -0.000) 0.988 8.001 ( 0.000 0.988 0.000) 0.988 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 1.600 0.000 14.810) 14.896 0.356 ( -5.122 0.000 17.508) 18.242 0.579 ( -2.695 0.000 8.265) 8.694 0.609 ( 7.784 0.000 31.592) 32.537 0.888 ( 4.458 0.000 11.321) 12.167 1.022 ( 0.232 0.000 -4.574) 4.580 1.128 ( 1.411 0.000 -1.492) 2.053 1.177 ( 1.999 0.000 0.569) 2.078 1.231 ( -0.431 0.000 -2.604) 2.639 1.319 ( -3.102 0.000 -0.014) 3.102 1.383 ( 1.110 0.000 -0.125) 1.117 1.411 ( -0.500 0.000 -3.348) 3.385 1.554 ( -2.652 0.000 -4.000) 4.800 1.563 ( 0.747 0.000 -4.621) 4.681 1.606 ( -5.393 0.000 -8.935) 10.437 1.631 ( -9.174 0.000 -11.359) 14.602 1.723 ( 7.070 0.000 -0.668) 7.101 1.808 ( -1.955 0.000 0.403) 1.997 1.851 ( 2.373 0.000 -2.421) 3.390 1.913 ( -1.929 0.000 -0.543) 2.004 1.965 ( 4.778 0.000 1.794) 5.104 1.982 ( 0.607 0.000 4.625) 4.665 2.128 ( -0.016 0.000 6.474) 6.474 2.177 ( 2.391 0.000 5.875) 6.342 2.213 ( 4.171 0.000 8.566) 9.527 2.225 ( 0.883 0.000 7.757) 7.807 2.276 ( -1.652 0.000 -0.843) 1.855 2.293 ( -0.446 0.000 -1.140) 1.224 2.419 ( 0.620 0.000 -2.138) 2.226 2.487 ( -1.848 0.000 -0.206) 1.859 2.531 ( -0.515 0.000 -5.374) 5.398 2.554 ( 0.443 0.000 -0.545) 0.702 2.583 ( -2.607 0.000 0.166) 2.612 2.702 ( 2.036 0.000 -2.995) 3.622 2.724 ( -1.765 0.000 -2.795) 3.306 2.748 ( -3.528 0.000 -4.489) 5.709 2.846 ( 0.822 0.000 0.637) 1.040 2.868 ( -0.730 0.000 -2.331) 2.442 2.895 ( -1.821 0.000 -2.335) 2.961 2.921 ( -3.671 0.000 0.535) 3.710 2.927 ( -0.195 0.000 -2.480) 2.487 2.943 ( -1.320 0.000 -1.437) 1.951 2.982 ( -0.409 0.000 1.748) 1.795 2.992 ( 0.873 0.000 -0.601) 1.059 3.071 ( 1.651 0.000 1.891) 2.510 3.080 ( 1.279 0.000 1.546) 2.006 3.139 ( -0.335 0.000 2.259) 2.284 3.161 ( -0.197 0.000 -1.970) 1.980 3.161 ( -1.808 0.000 1.280) 2.215 3.189 ( 0.070 0.000 -1.508) 1.509 3.272 ( 0.111 0.000 -1.132) 1.138 3.275 ( 0.054 0.000 2.912) 2.913 3.322 ( -1.702 0.000 1.808) 2.483 3.332 ( -0.792 0.000 -3.360) 3.452 3.354 ( -1.031 0.000 2.066) 2.309 3.442 ( -0.649 0.000 -2.204) 2.298 3.465 ( -0.903 0.000 -2.511) 2.669 3.482 ( -1.528 0.000 -1.100) 1.883 3.545 ( -0.384 0.000 -0.570) 0.687 3.614 ( -3.552 0.000 -0.339) 3.568 3.615 ( 0.082 0.000 -1.363) 1.365 3.649 ( 0.991 0.000 0.265) 1.026 3.666 ( 0.314 0.000 -0.972) 1.021 3.682 ( 1.914 0.000 1.152) 2.234 3.786 ( 1.200 0.000 0.447) 1.281 3.787 ( 1.696 0.000 0.385) 1.740 3.821 ( -0.243 0.000 -1.155) 1.180 3.839 ( 1.135 0.000 -0.770) 1.371 3.894 ( -1.226 0.000 0.839) 1.486 3.912 ( -1.405 0.000 0.498) 1.490 3.944 ( 0.293 0.000 -0.071) 0.301 3.947 ( 0.122 0.000 0.116) 0.169 4.159 ( 0.247 0.000 1.544) 1.563 4.197 ( 0.734 0.000 0.692) 1.009 4.499 ( -0.731 0.000 -0.920) 1.176 4.508 ( -0.703 0.000 -2.747) 2.835 4.627 ( -0.572 0.000 2.569) 2.632 4.637 ( -0.551 0.000 1.253) 1.368 4.743 ( -1.230 0.000 -0.079) 1.232 4.748 ( 1.182 0.000 -0.250) 1.208 5.026 ( 0.191 0.000 0.102) 0.217 5.034 ( 0.405 0.000 -0.026) 0.406 5.187 ( -1.651 0.000 -0.573) 1.748 5.214 ( -1.922 0.000 -0.753) 2.064 5.398 ( 1.436 0.000 1.123) 1.823 5.405 ( 2.506 0.000 1.246) 2.799 5.981 ( 1.368 0.000 2.171) 2.565 6.020 ( 6.248 0.000 1.185) 6.359 6.699 ( -1.531 0.000 -1.662) 2.260 6.700 ( -0.540 0.000 -1.522) 1.615 6.754 ( -1.902 0.000 -2.332) 3.009 6.758 ( -1.713 0.000 -2.390) 2.941 6.799 ( -1.962 0.000 -2.355) 3.066 6.816 ( -0.579 0.000 -1.543) 1.648 6.886 ( -1.646 0.000 -3.137) 3.542 6.897 ( -1.183 0.000 -2.469) 2.738 6.988 ( 2.865 0.000 2.196) 3.610 7.037 ( 1.536 0.000 1.225) 1.965 7.147 ( 3.102 0.000 6.386) 7.099 7.163 ( 3.412 0.000 6.357) 7.215 7.282 ( 0.556 0.000 0.535) 0.772 7.288 ( 0.850 0.000 0.524) 0.998 7.407 ( -1.016 0.000 -0.213) 1.038 7.454 ( -0.722 0.000 -0.251) 0.764 7.597 ( 0.928 0.000 1.134) 1.465 7.629 ( 0.655 0.000 0.621) 0.903 7.996 ( 0.233 0.000 -0.255) 0.345 8.035 ( 0.371 0.000 -0.809) 0.890 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 7.742 0.000 14.823) 16.723 0.538 ( 10.081 0.000 12.711) 16.223 0.732 ( 11.027 0.000 5.936) 12.523 0.972 ( -1.336 0.000 -3.463) 3.712 1.025 ( 9.018 0.000 13.166) 15.958 1.032 ( 3.608 0.000 0.817) 3.699 1.173 ( -0.209 0.000 -3.560) 3.566 1.190 ( 7.070 0.000 8.658) 11.179 1.250 ( -1.828 0.000 -4.532) 4.887 1.279 ( -1.792 0.000 0.507) 1.862 1.330 ( -5.959 0.000 -5.061) 7.818 1.394 ( -0.039 0.000 2.180) 2.180 1.420 ( -4.376 0.000 1.141) 4.523 1.441 ( 0.860 0.000 2.191) 2.353 1.558 ( 3.309 0.000 -1.177) 3.512 1.620 ( 4.535 0.000 0.206) 4.540 1.748 ( -4.774 0.000 3.011) 5.644 1.793 ( 0.660 0.000 -2.683) 2.763 1.885 ( -0.865 0.000 -2.315) 2.471 1.907 ( 5.599 0.000 -3.879) 6.812 2.012 ( -0.037 0.000 3.348) 3.348 2.064 ( 3.065 0.000 -5.351) 6.166 2.131 ( -2.964 0.000 -7.176) 7.764 2.180 ( -1.158 0.000 -1.242) 1.698 2.206 ( -2.112 0.000 -3.968) 4.496 2.236 ( -0.674 0.000 1.068) 1.263 2.328 ( -0.189 0.000 6.414) 6.417 2.379 ( 4.004 0.000 -1.100) 4.152 2.422 ( -1.298 0.000 1.941) 2.335 2.423 ( 2.522 0.000 8.048) 8.434 2.553 ( 0.934 0.000 2.324) 2.505 2.559 ( 2.461 0.000 -3.200) 4.037 2.584 ( 0.388 0.000 2.607) 2.636 2.667 ( -2.139 0.000 -3.188) 3.839 2.673 ( -2.187 0.000 -0.601) 2.268 2.693 ( 1.388 0.000 -6.135) 6.290 2.766 ( -6.592 0.000 -0.952) 6.660 2.848 ( -2.357 0.000 3.412) 4.147 2.853 ( -0.098 0.000 -1.316) 1.319 2.874 ( -0.637 0.000 -2.490) 2.570 2.917 ( 0.212 0.000 -2.745) 2.753 2.927 ( -0.810 0.000 -1.929) 2.092 2.998 ( 0.037 0.000 1.940) 1.940 3.013 ( 1.613 0.000 -0.299) 1.641 3.096 ( -1.204 0.000 -0.380) 1.262 3.113 ( -0.117 0.000 2.180) 2.183 3.126 ( -2.541 0.000 1.548) 2.975 3.141 ( 0.039 0.000 2.135) 2.136 3.147 ( 0.360 0.000 0.673) 0.763 3.182 ( 0.978 0.000 -1.334) 1.654 3.257 ( -0.861 0.000 -2.462) 2.608 3.266 ( -1.082 0.000 -3.542) 3.703 3.288 ( -1.797 0.000 0.473) 1.858 3.337 ( 2.319 0.000 1.793) 2.932 3.368 ( 0.979 0.000 2.143) 2.356 3.407 ( -0.737 0.000 -2.994) 3.083 3.458 ( 0.312 0.000 0.945) 0.995 3.462 ( -1.007 0.000 1.338) 1.674 3.513 ( -1.417 0.000 -2.184) 2.603 3.572 ( -1.456 0.000 -2.642) 3.017 3.590 ( 0.562 0.000 -1.060) 1.199 3.655 ( -0.378 0.000 -1.037) 1.104 3.698 ( 1.898 0.000 1.380) 2.347 3.735 ( 1.462 0.000 2.089) 2.549 3.740 ( -3.180 0.000 -2.157) 3.843 3.762 ( -3.066 0.000 -1.459) 3.396 3.859 ( 1.980 0.000 -0.499) 2.041 3.861 ( 1.488 0.000 -0.464) 1.559 3.893 ( 0.680 0.000 0.805) 1.053 3.899 ( 0.020 0.000 -0.104) 0.106 3.949 ( 0.079 0.000 0.079) 0.112 3.952 ( 0.222 0.000 0.011) 0.222 4.188 ( 1.046 0.000 2.364) 2.585 4.221 ( 0.662 0.000 1.257) 1.421 4.472 ( -1.071 0.000 -1.447) 1.800 4.484 ( 0.113 0.000 -1.850) 1.854 4.627 ( -0.857 0.000 1.349) 1.598 4.636 ( -0.546 0.000 1.011) 1.149 4.736 ( -0.324 0.000 0.624) 0.703 4.771 ( 1.186 0.000 -0.014) 1.186 5.034 ( 0.551 0.000 0.405) 0.684 5.044 ( 0.598 0.000 0.247) 0.647 5.142 ( -2.472 0.000 -0.668) 2.560 5.165 ( -2.354 0.000 -0.750) 2.470 5.434 ( 1.504 0.000 0.468) 1.575 5.455 ( 1.749 0.000 0.339) 1.782 6.028 ( 1.396 0.000 2.428) 2.801 6.103 ( 2.415 0.000 0.182) 2.422 6.648 ( -2.478 0.000 -1.661) 2.983 6.668 ( -3.003 0.000 -2.895) 4.171 6.668 ( -2.211 0.000 -2.531) 3.360 6.685 ( -2.286 0.000 -2.110) 3.111 6.789 ( 0.141 0.000 0.482) 0.503 6.802 ( -0.955 0.000 -0.629) 1.143 6.837 ( -0.519 0.000 -1.944) 2.012 6.852 ( -1.312 0.000 -2.525) 2.845 7.060 ( 2.616 0.000 1.561) 3.047 7.074 ( 1.252 0.000 0.226) 1.272 7.252 ( 2.871 0.000 5.570) 6.266 7.260 ( 1.914 0.000 4.248) 4.659 7.297 ( 0.609 0.000 0.861) 1.054 7.298 ( 0.086 0.000 1.920) 1.922 7.385 ( -0.661 0.000 -1.347) 1.500 7.432 ( -0.988 0.000 -1.431) 1.739 7.624 ( 0.608 0.000 1.162) 1.311 7.643 ( 0.218 0.000 0.624) 0.661 7.993 ( -0.409 0.000 -0.223) 0.466 8.031 ( -0.117 0.000 -0.801) 0.810 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.160 0.000 14.421) 17.640 0.822 ( 10.250 0.000 10.119) 14.403 0.931 ( -2.487 0.000 -0.728) 2.591 0.947 ( 0.385 0.000 -0.163) 0.418 1.007 ( 0.476 0.000 -4.968) 4.991 1.073 ( -1.350 0.000 -0.480) 1.433 1.120 ( 3.117 0.000 -2.644) 4.087 1.126 ( -1.704 0.000 -10.093) 10.236 1.175 ( -4.797 0.000 -4.045) 6.274 1.210 ( 1.295 0.000 -1.243) 1.795 1.422 ( 0.225 0.000 8.574) 8.577 1.447 ( -0.564 0.000 4.588) 4.623 1.577 ( 9.509 0.000 8.230) 12.576 1.578 ( 3.919 0.000 5.644) 6.871 1.656 ( 3.571 0.000 5.679) 6.709 1.679 ( -3.685 0.000 1.334) 3.919 1.746 ( -3.412 0.000 -2.500) 4.230 1.756 ( 2.978 0.000 3.824) 4.846 1.822 ( -8.773 0.000 -15.814) 18.084 1.848 ( -1.961 0.000 -10.765) 10.942 1.869 ( 2.062 0.000 3.636) 4.180 1.992 ( -1.167 0.000 -0.001) 1.167 2.125 ( 6.274 0.000 -3.618) 7.242 2.174 ( 5.249 0.000 -5.505) 7.606 2.248 ( 1.006 0.000 -1.127) 1.510 2.294 ( 2.702 0.000 4.577) 5.315 2.350 ( -0.107 0.000 2.949) 2.951 2.376 ( -1.084 0.000 -3.227) 3.405 2.451 ( 0.719 0.000 3.818) 3.885 2.491 ( -0.699 0.000 -0.853) 1.103 2.543 ( -3.568 0.000 -0.033) 3.568 2.588 ( -3.773 0.000 2.150) 4.343 2.600 ( -0.009 0.000 0.181) 0.181 2.616 ( 0.536 0.000 3.297) 3.340 2.632 ( -3.084 0.000 0.175) 3.089 2.680 ( 0.953 0.000 0.236) 0.982 2.704 ( 2.322 0.000 -3.830) 4.479 2.832 ( -0.412 0.000 -0.533) 0.673 2.844 ( -1.055 0.000 0.004) 1.055 2.851 ( 0.725 0.000 -0.540) 0.904 2.886 ( -0.995 0.000 -2.616) 2.799 2.904 ( -0.227 0.000 -1.187) 1.209 3.004 ( -0.702 0.000 1.677) 1.818 3.033 ( 0.223 0.000 -0.611) 0.651 3.069 ( -1.181 0.000 2.387) 2.663 3.088 ( -1.721 0.000 4.748) 5.050 3.131 ( -0.540 0.000 0.553) 0.773 3.143 ( -0.343 0.000 0.122) 0.364 3.190 ( 0.657 0.000 2.578) 2.660 3.194 ( 0.690 0.000 -1.346) 1.513 3.217 ( -0.896 0.000 -0.965) 1.317 3.225 ( 0.012 0.000 -2.481) 2.481 3.287 ( 0.593 0.000 1.698) 1.798 3.369 ( -0.139 0.000 -0.560) 0.577 3.407 ( 1.580 0.000 1.057) 1.901 3.410 ( 2.873 0.000 0.571) 2.930 3.453 ( -1.077 0.000 1.015) 1.480 3.465 ( -0.986 0.000 0.215) 1.009 3.495 ( 0.772 0.000 0.837) 1.139 3.553 ( 1.009 0.000 -0.724) 1.242 3.596 ( 1.219 0.000 -1.562) 1.981 3.620 ( -2.431 0.000 -3.118) 3.954 3.654 ( -3.265 0.000 -3.043) 4.463 3.684 ( -2.107 0.000 -1.709) 2.713 3.735 ( 0.561 0.000 1.081) 1.218 3.767 ( 0.263 0.000 0.950) 0.986 3.876 ( 0.491 0.000 0.063) 0.495 3.884 ( 0.450 0.000 0.786) 0.905 3.904 ( 1.119 0.000 -0.655) 1.297 3.922 ( 1.634 0.000 0.167) 1.643 3.949 ( -0.131 0.000 0.201) 0.240 3.953 ( -0.095 0.000 -0.172) 0.196 4.212 ( -0.193 0.000 0.529) 0.563 4.227 ( -0.670 0.000 0.053) 0.672 4.450 ( -0.163 0.000 -0.264) 0.310 4.488 ( 1.073 0.000 -0.090) 1.077 4.620 ( -0.703 0.000 0.580) 0.912 4.633 ( -0.373 0.000 0.662) 0.760 4.729 ( -0.509 0.000 -0.425) 0.663 4.783 ( 0.458 0.000 -1.121) 1.212 5.053 ( 0.935 0.000 0.448) 1.037 5.056 ( 0.276 0.000 0.151) 0.314 5.096 ( -2.162 0.000 0.682) 2.267 5.129 ( -1.163 0.000 0.789) 1.406 5.455 ( 0.848 0.000 -0.872) 1.216 5.473 ( 0.490 0.000 -0.604) 0.778 6.050 ( -0.246 0.000 -0.184) 0.307 6.118 ( -0.263 0.000 -1.809) 1.828 6.598 ( -1.334 0.000 0.736) 1.524 6.609 ( -1.362 0.000 0.446) 1.433 6.632 ( -0.205 0.000 -0.107) 0.231 6.664 ( -0.165 0.000 0.107) 0.196 6.777 ( -0.622 0.000 -0.574) 0.846 6.791 ( -0.632 0.000 -0.122) 0.644 6.825 ( 0.183 0.000 -0.023) 0.184 6.835 ( 0.443 0.000 0.197) 0.484 7.086 ( 0.284 0.000 -0.846) 0.892 7.098 ( 0.835 0.000 -0.022) 0.835 7.278 ( -0.305 0.000 0.108) 0.324 7.296 ( 0.066 0.000 -0.044) 0.080 7.312 ( -1.315 0.000 -0.369) 1.366 7.327 ( -0.198 0.000 1.846) 1.857 7.384 ( 1.086 0.000 1.421) 1.788 7.407 ( 0.229 0.000 -0.922) 0.950 7.628 ( -0.582 0.000 -0.016) 0.582 7.644 ( -0.289 0.000 -0.376) 0.474 7.981 ( -0.504 0.000 -0.252) 0.564 8.022 ( -0.129 0.000 -0.835) 0.845 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( -13.791 0.000 -5.452) 14.830 0.928 ( -5.385 0.000 1.117) 5.500 0.981 ( -4.076 0.000 2.438) 4.749 1.006 ( 3.596 0.000 2.481) 4.369 1.049 ( 5.561 0.000 -0.466) 5.580 1.094 ( 6.068 0.000 4.327) 7.453 1.106 ( 3.382 0.000 -3.992) 5.232 1.151 ( -0.641 0.000 2.915) 2.985 1.152 ( 5.718 0.000 3.880) 6.910 1.312 ( 6.701 0.000 3.763) 7.685 1.361 ( -15.489 0.000 -15.672) 22.034 1.374 ( -10.619 0.000 -11.437) 15.607 1.502 ( -2.568 0.000 -1.169) 2.822 1.510 ( -0.506 0.000 9.303) 9.317 1.573 ( -5.125 0.000 2.125) 5.548 1.642 ( -4.077 0.000 -2.621) 4.847 1.725 ( 4.977 0.000 1.445) 5.182 1.754 ( 0.577 0.000 -0.142) 0.594 1.773 ( 3.350 0.000 -1.044) 3.509 1.956 ( -0.236 0.000 0.382) 0.449 2.049 ( 6.373 0.000 4.716) 7.928 2.112 ( 8.622 0.000 4.711) 9.825 2.188 ( -0.072 0.000 -3.141) 3.142 2.210 ( 5.343 0.000 -2.434) 5.872 2.256 ( 1.526 0.000 -2.889) 3.267 2.263 ( -3.629 0.000 -1.273) 3.846 2.322 ( -3.995 0.000 -1.761) 4.366 2.341 ( -2.951 0.000 1.528) 3.323 2.451 ( -1.012 0.000 -7.031) 7.104 2.473 ( -2.180 0.000 0.956) 2.380 2.518 ( 4.468 0.000 3.050) 5.410 2.559 ( -2.648 0.000 3.409) 4.317 2.580 ( 0.198 0.000 -2.336) 2.344 2.587 ( -0.939 0.000 7.019) 7.082 2.639 ( -0.702 0.000 2.757) 2.845 2.697 ( 0.132 0.000 -2.861) 2.864 2.756 ( 3.321 0.000 3.180) 4.597 2.822 ( 1.080 0.000 -3.212) 3.389 2.838 ( 0.831 0.000 -1.134) 1.406 2.879 ( 0.943 0.000 1.946) 2.162 2.885 ( 0.277 0.000 -2.608) 2.623 2.885 ( 1.127 0.000 2.050) 2.339 3.001 ( -1.758 0.000 2.886) 3.379 3.026 ( -0.278 0.000 0.666) 0.722 3.094 ( 0.412 0.000 4.047) 4.068 3.107 ( -1.348 0.000 -0.468) 1.427 3.126 ( 0.098 0.000 6.032) 6.033 3.127 ( -0.298 0.000 -0.942) 0.988 3.163 ( -2.273 0.000 -0.589) 2.348 3.174 ( 0.121 0.000 -3.082) 3.084 3.230 ( 0.802 0.000 1.688) 1.869 3.260 ( 1.794 0.000 1.723) 2.488 3.314 ( 0.277 0.000 1.407) 1.434 3.389 ( 1.893 0.000 1.349) 2.325 3.418 ( -1.136 0.000 -0.295) 1.173 3.429 ( -2.574 0.000 -1.149) 2.819 3.449 ( 0.719 0.000 0.676) 0.987 3.456 ( 0.074 0.000 0.920) 0.923 3.527 ( 1.508 0.000 2.012) 2.515 3.562 ( 0.579 0.000 -1.328) 1.448 3.590 ( 2.861 0.000 -0.699) 2.945 3.599 ( 0.903 0.000 -3.131) 3.259 3.620 ( 1.388 0.000 -0.140) 1.395 3.660 ( 0.102 0.000 -1.534) 1.537 3.739 ( -0.565 0.000 -0.005) 0.565 3.758 ( -0.995 0.000 -1.111) 1.491 3.882 ( 0.036 0.000 0.123) 0.129 3.888 ( -0.333 0.000 0.701) 0.776 3.925 ( 0.876 0.000 -0.150) 0.889 3.942 ( -0.486 0.000 -0.413) 0.638 3.946 ( -0.297 0.000 0.015) 0.297 3.948 ( 0.553 0.000 0.249) 0.606 4.187 ( -1.608 0.000 -1.277) 2.053 4.206 ( -0.898 0.000 -0.836) 1.227 4.464 ( 0.983 0.000 1.277) 1.612 4.515 ( 1.165 0.000 1.191) 1.666 4.609 ( -0.851 0.000 0.140) 0.863 4.633 ( -0.160 0.000 0.496) 0.522 4.718 ( 0.159 0.000 -1.079) 1.091 4.772 ( -0.107 0.000 -2.333) 2.335 5.045 ( -1.168 0.000 -0.334) 1.215 5.049 ( -0.692 0.000 -0.308) 0.758 5.107 ( 1.352 0.000 2.711) 3.029 5.141 ( 0.799 0.000 2.592) 2.712 5.451 ( -0.084 0.000 -2.005) 2.007 5.466 ( -0.285 0.000 -1.791) 1.813 6.020 ( -1.505 0.000 -2.594) 2.999 6.071 ( -1.640 0.000 -4.517) 4.806 6.618 ( 1.425 0.000 3.175) 3.480 6.640 ( 2.268 0.000 4.190) 4.764 6.654 ( 1.644 0.000 2.548) 3.033 6.675 ( 0.692 0.000 1.247) 1.427 6.773 ( -0.476 0.000 -0.795) 0.927 6.778 ( 0.755 0.000 0.463) 0.885 6.851 ( 0.743 0.000 1.421) 1.604 6.854 ( 1.464 0.000 2.317) 2.740 7.074 ( -0.385 0.000 -1.999) 2.036 7.093 ( -0.717 0.000 -1.368) 1.544 7.255 ( -2.737 0.000 -3.885) 4.752 7.263 ( -3.384 0.000 -3.600) 4.941 7.269 ( -0.382 0.000 -0.692) 0.790 7.295 ( -0.958 0.000 -1.357) 1.661 7.416 ( 0.374 0.000 2.220) 2.251 7.434 ( 1.201 0.000 1.601) 2.001 7.608 ( -0.917 0.000 -1.235) 1.538 7.629 ( -0.455 0.000 -1.392) 1.464 7.975 ( 0.047 0.000 -0.301) 0.305 8.017 ( 0.341 0.000 -0.866) 0.931 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -12.161 0.000 -0.972) 12.199 0.704 ( -16.923 0.000 -3.956) 17.379 0.938 ( -14.046 0.000 -3.314) 14.432 0.960 ( -11.504 0.000 -6.379) 13.155 0.965 ( -2.754 0.000 -3.276) 4.280 0.992 ( -9.803 0.000 0.319) 9.808 1.102 ( 3.000 0.000 -2.884) 4.161 1.117 ( 0.195 0.000 -3.668) 3.673 1.228 ( 5.705 0.000 7.071) 9.085 1.311 ( 0.575 0.000 3.687) 3.731 1.335 ( 7.027 0.000 5.012) 8.631 1.397 ( -0.244 0.000 -0.395) 0.464 1.538 ( -2.028 0.000 -1.820) 2.726 1.543 ( 2.322 0.000 1.240) 2.633 1.576 ( 6.368 0.000 9.900) 11.771 1.600 ( 1.459 0.000 5.466) 5.657 1.718 ( -1.369 0.000 -1.221) 1.835 1.825 ( 4.379 0.000 1.249) 4.553 1.879 ( 5.531 0.000 1.199) 5.660 1.931 ( -2.134 0.000 -2.729) 3.464 2.030 ( -5.485 0.000 -4.964) 7.397 2.052 ( -2.012 0.000 -9.722) 9.928 2.128 ( -5.134 0.000 -2.589) 5.750 2.171 ( -5.100 0.000 -9.137) 10.464 2.250 ( -2.105 0.000 0.056) 2.106 2.258 ( -5.248 0.000 2.649) 5.879 2.266 ( 0.362 0.000 2.318) 2.346 2.346 ( 2.328 0.000 0.465) 2.374 2.394 ( -1.109 0.000 -2.593) 2.821 2.470 ( 0.318 0.000 0.874) 0.930 2.558 ( -0.847 0.000 1.973) 2.147 2.623 ( 2.195 0.000 -0.249) 2.209 2.625 ( 1.399 0.000 3.578) 3.842 2.658 ( 1.730 0.000 2.724) 3.227 2.679 ( 2.970 0.000 -0.419) 2.999 2.680 ( 4.978 0.000 5.388) 7.336 2.831 ( 1.660 0.000 -2.450) 2.959 2.834 ( 2.643 0.000 3.110) 4.081 2.862 ( 2.374 0.000 -1.480) 2.797 2.871 ( 0.770 0.000 -0.672) 1.022 2.915 ( 1.572 0.000 -0.615) 1.688 2.922 ( 0.382 0.000 2.432) 2.462 2.992 ( -1.900 0.000 5.599) 5.912 3.038 ( 0.335 0.000 1.567) 1.603 3.080 ( -1.137 0.000 0.151) 1.147 3.092 ( -1.386 0.000 -0.302) 1.419 3.116 ( -0.904 0.000 -1.055) 1.389 3.142 ( -0.336 0.000 1.263) 1.307 3.165 ( 0.911 0.000 2.607) 2.762 3.193 ( 1.372 0.000 0.836) 1.606 3.252 ( 0.374 0.000 1.439) 1.487 3.281 ( -0.640 0.000 -0.251) 0.688 3.306 ( -0.700 0.000 -0.651) 0.956 3.366 ( -1.499 0.000 -0.674) 1.644 3.387 ( -1.875 0.000 0.870) 2.067 3.437 ( 1.729 0.000 1.009) 2.002 3.473 ( 1.109 0.000 1.758) 2.078 3.478 ( 1.004 0.000 2.106) 2.333 3.575 ( 0.931 0.000 2.479) 2.648 3.595 ( 2.213 0.000 -0.106) 2.216 3.614 ( 1.405 0.000 -2.756) 3.094 3.638 ( 2.403 0.000 -2.070) 3.172 3.639 ( 2.063 0.000 -1.167) 2.371 3.655 ( 1.389 0.000 -1.722) 2.212 3.720 ( -0.643 0.000 -1.356) 1.501 3.735 ( 0.208 0.000 -1.205) 1.223 3.875 ( -0.675 0.000 -0.701) 0.973 3.882 ( -0.742 0.000 -0.638) 0.978 3.916 ( -0.912 0.000 -0.194) 0.932 3.922 ( -1.093 0.000 0.190) 1.109 3.948 ( 0.224 0.000 0.203) 0.302 3.956 ( -0.124 0.000 0.261) 0.289 4.158 ( -0.856 0.000 0.072) 0.859 4.191 ( -0.229 0.000 -0.404) 0.464 4.493 ( 0.866 0.000 1.207) 1.486 4.543 ( 0.851 0.000 0.744) 1.130 4.592 ( -0.792 0.000 0.309) 0.850 4.634 ( -0.135 0.000 0.657) 0.670 4.724 ( 1.009 0.000 -0.298) 1.052 4.751 ( -0.081 0.000 -2.426) 2.427 5.028 ( -0.515 0.000 -0.031) 0.516 5.036 ( -0.453 0.000 -0.298) 0.543 5.157 ( 1.719 0.000 2.519) 3.050 5.184 ( 1.369 0.000 3.012) 3.308 5.423 ( -1.024 0.000 -2.523) 2.723 5.440 ( -0.561 0.000 -2.878) 2.932 5.975 ( -1.061 0.000 -2.140) 2.389 6.009 ( -1.271 0.000 -4.623) 4.795 6.674 ( 2.047 0.000 2.399) 3.154 6.698 ( 0.848 0.000 0.928) 1.257 6.724 ( 2.797 0.000 3.081) 4.161 6.725 ( 2.561 0.000 3.533) 4.363 6.772 ( 1.094 0.000 0.744) 1.322 6.806 ( 1.369 0.000 1.387) 1.949 6.891 ( 1.834 0.000 2.719) 3.280 6.900 ( 1.318 0.000 1.975) 2.374 7.046 ( -0.530 0.000 -2.275) 2.336 7.058 ( -1.397 0.000 -1.321) 1.922 7.145 ( -5.140 0.000 -5.578) 7.585 7.164 ( -3.447 0.000 -4.656) 5.793 7.258 ( -0.133 0.000 -0.626) 0.640 7.276 ( -0.266 0.000 -1.078) 1.110 7.428 ( -0.479 0.000 1.578) 1.649 7.458 ( 0.270 0.000 1.213) 1.243 7.584 ( -0.405 0.000 -1.294) 1.356 7.614 ( 0.071 0.000 -1.286) 1.288 7.979 ( 0.628 0.000 -0.384) 0.736 8.021 ( 0.796 0.000 -0.873) 1.181 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( -7.601 0.000 8.680) 11.538 0.370 ( -14.225 0.000 7.690) 16.170 0.608 ( -21.102 0.000 13.903) 25.270 0.704 ( -13.417 0.000 4.076) 14.023 0.829 ( -6.175 0.000 3.591) 7.143 1.004 ( 4.442 0.000 -3.814) 5.855 1.128 ( 1.413 0.000 -2.467) 2.843 1.137 ( 2.390 0.000 -1.114) 2.636 1.284 ( -2.654 0.000 -1.397) 2.999 1.342 ( 0.331 0.000 4.602) 4.614 1.377 ( 0.132 0.000 -1.576) 1.582 1.415 ( 1.070 0.000 -0.897) 1.396 1.556 ( 5.013 0.000 -1.137) 5.140 1.579 ( -0.220 0.000 -1.012) 1.036 1.666 ( 1.677 0.000 -2.135) 2.715 1.701 ( 2.172 0.000 -2.365) 3.211 1.785 ( 5.491 0.000 1.654) 5.734 1.834 ( -1.021 0.000 -3.803) 3.937 1.889 ( -5.997 0.000 -7.672) 9.738 1.916 ( 1.549 0.000 0.874) 1.779 1.923 ( -2.081 0.000 -4.511) 4.968 1.981 ( -1.659 0.000 2.004) 2.601 2.030 ( 0.509 0.000 4.824) 4.851 2.064 ( -0.673 0.000 4.002) 4.059 2.189 ( -4.725 0.000 5.030) 6.902 2.223 ( -1.657 0.000 1.627) 2.322 2.288 ( 0.218 0.000 0.803) 0.832 2.319 ( -2.337 0.000 -0.728) 2.447 2.405 ( 2.425 0.000 -1.930) 3.099 2.482 ( 0.364 0.000 0.575) 0.680 2.550 ( -0.872 0.000 1.365) 1.619 2.611 ( -2.186 0.000 -3.789) 4.374 2.626 ( -0.225 0.000 -1.954) 1.966 2.672 ( 2.053 0.000 -0.246) 2.067 2.757 ( 0.948 0.000 -0.248) 0.980 2.800 ( 1.687 0.000 1.448) 2.223 2.826 ( 0.675 0.000 -1.471) 1.619 2.864 ( 1.433 0.000 -2.116) 2.556 2.906 ( 1.572 0.000 0.062) 1.573 2.910 ( 1.019 0.000 -1.371) 1.708 2.939 ( 2.051 0.000 1.843) 2.758 2.941 ( 2.262 0.000 -1.282) 2.599 3.001 ( -2.456 0.000 4.730) 5.329 3.038 ( -1.307 0.000 -0.287) 1.339 3.066 ( -0.900 0.000 -0.248) 0.934 3.068 ( -1.622 0.000 -1.317) 2.090 3.103 ( 0.797 0.000 2.431) 2.558 3.160 ( -0.001 0.000 3.016) 3.016 3.175 ( -0.072 0.000 -1.045) 1.048 3.198 ( 0.121 0.000 -1.502) 1.507 3.266 ( -0.758 0.000 1.432) 1.620 3.271 ( 0.732 0.000 0.096) 0.738 3.311 ( 0.360 0.000 2.468) 2.494 3.358 ( -0.036 0.000 -0.858) 0.859 3.364 ( -1.587 0.000 1.313) 2.060 3.457 ( 0.116 0.000 -0.200) 0.231 3.507 ( -0.079 0.000 -0.074) 0.108 3.507 ( 0.646 0.000 0.372) 0.746 3.555 ( -1.378 0.000 -1.883) 2.334 3.603 ( 0.208 0.000 -2.414) 2.423 3.618 ( 1.143 0.000 0.692) 1.336 3.645 ( 0.822 0.000 -0.220) 0.851 3.676 ( -0.036 0.000 -1.060) 1.060 3.709 ( 4.905 0.000 -0.619) 4.944 3.725 ( -0.711 0.000 -3.607) 3.677 3.732 ( 3.494 0.000 -0.844) 3.594 3.848 ( -1.198 0.000 -1.282) 1.754 3.854 ( -0.905 0.000 -0.651) 1.114 3.910 ( -1.026 0.000 1.107) 1.509 3.917 ( -0.022 0.000 1.359) 1.359 3.947 ( -0.331 0.000 -0.197) 0.385 3.950 ( -0.424 0.000 0.010) 0.424 4.153 ( -0.325 0.000 0.902) 0.959 4.189 ( 0.120 0.000 -0.008) 0.121 4.508 ( 0.079 0.000 0.235) 0.248 4.540 ( -0.267 0.000 -2.555) 2.569 4.604 ( 0.443 0.000 3.013) 3.045 4.637 ( -0.342 0.000 1.073) 1.126 4.739 ( 0.472 0.000 -1.464) 1.538 4.748 ( 1.435 0.000 0.105) 1.439 5.024 ( -0.017 0.000 0.000) 0.017 5.030 ( 0.072 0.000 -0.226) 0.237 5.195 ( 0.551 0.000 1.271) 1.385 5.225 ( 0.547 0.000 1.770) 1.853 5.388 ( -0.647 0.000 -1.204) 1.366 5.404 ( -0.919 0.000 -3.034) 3.170 5.958 ( 0.173 0.000 0.017) 0.174 5.958 ( -1.044 0.000 -1.359) 1.714 6.710 ( 0.279 0.000 -0.447) 0.526 6.714 ( 0.586 0.000 0.461) 0.745 6.759 ( 0.947 0.000 -0.262) 0.983 6.769 ( 0.900 0.000 0.167) 0.915 6.837 ( 0.604 0.000 -0.213) 0.640 6.841 ( 2.524 0.000 2.298) 3.414 6.900 ( -1.366 0.000 -1.061) 1.730 6.920 ( -0.579 0.000 -0.732) 0.933 7.014 ( -3.899 0.000 -5.100) 6.420 7.044 ( 0.309 0.000 -0.331) 0.453 7.062 ( 1.287 0.000 4.087) 4.285 7.083 ( -1.091 0.000 0.610) 1.250 7.261 ( 0.738 0.000 0.625) 0.967 7.271 ( 0.317 0.000 -0.203) 0.376 7.424 ( -0.918 0.000 0.716) 1.164 7.463 ( -0.388 0.000 0.576) 0.695 7.580 ( 0.492 0.000 -0.017) 0.492 7.615 ( 0.655 0.000 -0.282) 0.713 7.989 ( 0.730 0.000 -0.358) 0.814 8.030 ( 0.799 0.000 -0.855) 1.170 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -1.254 7.543 10.220) 12.764 0.423 ( -1.452 6.627 13.661) 15.253 0.566 ( -2.807 -2.194 7.418) 8.229 0.708 ( 5.936 8.630 25.609) 27.668 0.798 ( 3.255 -8.267 6.949) 11.280 0.999 ( 1.287 -3.417 5.612) 6.695 1.128 ( 2.438 0.595 -1.782) 3.078 1.171 ( 1.711 -0.778 -0.424) 1.927 1.253 ( -0.630 1.859 -4.368) 4.789 1.314 ( -1.974 -0.472 -1.994) 2.845 1.380 ( 0.247 -0.232 0.940) 1.000 1.398 ( -0.788 -0.955 -2.071) 2.413 1.553 ( -3.994 -0.158 -5.765) 7.015 1.577 ( -0.130 0.231 -6.900) 6.905 1.605 ( -5.212 0.134 -7.274) 8.949 1.620 ( -5.144 -0.029 -10.537) 11.725 1.733 ( 6.238 1.045 0.152) 6.326 1.789 ( -0.346 -1.457 -0.300) 1.528 1.873 ( 3.165 1.130 -1.257) 3.588 1.917 ( -1.603 -0.027 1.371) 2.110 1.923 ( 2.820 -2.243 0.760) 3.682 1.974 ( -0.517 -1.240 5.417) 5.581 2.156 ( 0.166 2.290 4.905) 5.416 2.195 ( 2.622 1.337 6.354) 7.002 2.205 ( 3.309 -0.646 8.179) 8.847 2.219 ( 2.326 -0.431 8.125) 8.463 2.281 ( -1.076 0.597 -0.837) 1.488 2.310 ( -1.407 0.734 0.033) 1.587 2.430 ( 0.447 1.164 -2.349) 2.660 2.484 ( -0.064 0.297 -1.404) 1.436 2.508 ( -2.251 -1.888 -5.155) 5.933 2.547 ( -0.421 -0.883 -2.032) 2.256 2.606 ( -0.915 2.123 0.232) 2.324 2.695 ( 0.165 -1.729 -4.110) 4.462 2.717 ( -0.241 0.330 -1.865) 1.909 2.746 ( -2.584 -0.212 -3.694) 4.513 2.833 ( 0.148 -0.733 -0.958) 1.215 2.862 ( -0.569 -1.226 -3.072) 3.356 2.884 ( -2.085 0.470 0.248) 2.152 2.921 ( -4.396 -0.391 -0.407) 4.432 2.935 ( 0.949 0.378 -1.985) 2.233 2.957 ( -0.775 -0.030 -1.967) 2.114 2.970 ( 0.546 0.613 1.505) 1.714 2.999 ( 0.144 -0.034 0.275) 0.312 3.075 ( 1.778 0.361 1.468) 2.334 3.083 ( 1.320 0.167 1.548) 2.041 3.142 ( -0.547 0.375 1.941) 2.051 3.159 ( -1.491 -0.099 1.389) 2.040 3.164 ( -0.305 0.237 -1.677) 1.721 3.184 ( 0.006 -0.528 -1.459) 1.551 3.273 ( -0.082 0.269 -0.430) 0.514 3.283 ( -0.282 0.346 1.420) 1.489 3.318 ( -0.493 0.176 0.363) 0.637 3.341 ( -0.545 0.011 0.432) 0.696 3.358 ( -1.555 0.915 0.284) 1.827 3.422 ( -0.695 -1.777 -0.926) 2.121 3.467 ( -1.028 0.176 -2.748) 2.939 3.477 ( -1.381 -0.384 -1.704) 2.227 3.559 ( -0.714 1.156 -0.837) 1.596 3.600 ( -1.809 -0.911 -0.815) 2.183 3.623 ( -0.596 0.488 -0.558) 0.952 3.647 ( 0.587 -0.443 0.392) 0.834 3.666 ( 0.885 0.189 -0.639) 1.108 3.680 ( 2.068 -0.197 0.852) 2.246 3.784 ( 1.398 -0.103 0.366) 1.449 3.785 ( 1.318 -0.142 0.221) 1.344 3.824 ( 0.411 0.365 -0.975) 1.119 3.840 ( 0.936 -0.136 -1.041) 1.406 3.897 ( -1.277 0.317 0.809) 1.545 3.910 ( -1.433 -0.189 0.457) 1.516 3.945 ( 0.298 0.092 -0.044) 0.315 3.947 ( 0.231 0.008 0.082) 0.245 4.165 ( 0.334 0.616 1.363) 1.533 4.192 ( 0.634 -0.514 0.767) 1.120 4.508 ( -0.699 0.625 -1.567) 1.826 4.514 ( -0.697 0.491 -2.283) 2.437 4.620 ( 0.146 0.520 1.303) 1.411 4.678 ( -1.529 1.706 0.077) 2.292 4.705 ( 1.013 -1.641 0.772) 2.077 4.757 ( 0.033 -0.549 0.361) 0.658 5.027 ( 0.220 0.133 0.085) 0.271 5.033 ( 0.369 -0.100 0.001) 0.382 5.190 ( -1.742 0.331 -0.609) 1.875 5.209 ( -1.905 -0.455 -0.732) 2.091 5.400 ( 1.444 0.152 1.015) 1.772 5.404 ( 2.197 -0.063 1.167) 2.489 5.981 ( 1.498 0.014 2.252) 2.705 5.999 ( 3.870 -1.288 2.665) 4.872 6.700 ( -1.394 0.063 -1.660) 2.168 6.701 ( -0.682 0.016 -1.552) 1.695 6.756 ( -1.755 0.094 -2.294) 2.890 6.758 ( -1.741 -0.038 -2.334) 2.912 6.802 ( -1.803 0.272 -2.284) 2.923 6.814 ( -0.809 -0.231 -1.636) 1.840 6.888 ( -1.678 0.203 -2.942) 3.393 6.896 ( -1.277 -0.124 -2.559) 2.862 6.998 ( 2.448 0.847 1.665) 3.080 7.030 ( 1.421 -0.628 1.323) 2.041 7.151 ( 3.133 0.322 6.194) 6.949 7.161 ( 3.344 -0.179 6.358) 7.186 7.279 ( 0.602 -0.214 0.802) 1.025 7.281 ( 0.598 -0.356 0.996) 1.215 7.414 ( -0.930 0.752 -0.261) 1.224 7.450 ( -0.725 -0.605 -0.499) 1.068 7.601 ( 0.795 0.488 1.047) 1.402 7.625 ( 0.671 -0.468 0.683) 1.066 8.002 ( 0.259 0.541 -0.326) 0.683 8.029 ( 0.363 -0.601 -0.719) 1.005 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 7.775 4.215 10.914) 14.047 0.591 ( 8.903 4.664 11.083) 14.962 0.708 ( 10.370 -2.754 5.775) 12.185 0.862 ( 1.424 -8.426 0.296) 8.550 1.047 ( 6.282 2.037 10.043) 12.020 1.080 ( 2.389 2.225 1.399) 3.552 1.154 ( 0.664 -0.607 -3.339) 3.458 1.209 ( 2.301 -0.018 0.967) 2.496 1.252 ( 3.024 1.343 2.231) 3.991 1.290 ( -1.862 0.720 -0.816) 2.157 1.340 ( -7.523 0.859 -5.091) 9.124 1.371 ( 0.208 -1.870 2.804) 3.377 1.397 ( -2.629 -1.356 2.196) 3.684 1.441 ( 0.867 -0.953 3.654) 3.875 1.573 ( 3.151 1.480 -1.023) 3.629 1.626 ( 4.867 -0.142 -2.382) 5.420 1.756 ( -3.890 1.737 3.427) 5.467 1.809 ( 0.944 0.744 -2.349) 2.639 1.882 ( -1.270 0.183 -1.165) 1.733 1.916 ( 2.749 0.543 -3.239) 4.282 1.985 ( 2.419 -1.825 0.822) 3.140 2.040 ( 2.726 -2.207 -2.825) 4.503 2.147 ( -3.603 1.172 -6.496) 7.520 2.189 ( -4.112 -0.896 -7.174) 8.317 2.207 ( 1.113 1.976 3.345) 4.042 2.255 ( -0.907 0.739 -0.395) 1.235 2.324 ( 0.463 0.731 5.449) 5.517 2.391 ( 3.062 0.069 1.890) 3.599 2.416 ( 0.106 0.472 1.511) 1.586 2.433 ( 0.442 0.473 5.075) 5.116 2.516 ( 1.481 -2.061 1.682) 3.045 2.545 ( 2.039 -1.848 -2.502) 3.719 2.613 ( 0.813 1.856 0.457) 2.077 2.654 ( -0.928 -0.822 -2.156) 2.487 2.675 ( -2.254 0.204 -1.304) 2.612 2.696 ( 0.366 0.033 -5.607) 5.619 2.779 ( -5.889 1.140 -0.243) 6.003 2.830 ( -1.259 -1.414 0.521) 1.964 2.848 ( -1.864 -0.167 1.284) 2.269 2.866 ( 0.014 -0.877 -1.881) 2.075 2.923 ( 0.059 0.403 -3.021) 3.048 2.932 ( -0.604 0.142 -2.762) 2.831 2.994 ( 0.284 0.084 1.786) 1.810 3.013 ( 0.721 -0.218 0.133) 0.765 3.099 ( -1.401 0.407 -0.221) 1.475 3.116 ( -0.881 0.113 1.734) 1.948 3.128 ( -1.760 0.180 1.863) 2.570 3.140 ( 0.041 -0.183 2.357) 2.365 3.151 ( 0.351 0.465 0.370) 0.690 3.178 ( 0.852 -0.467 -0.554) 1.118 3.257 ( -0.614 0.071 -2.685) 2.755 3.263 ( -0.878 -0.176 -2.991) 3.122 3.310 ( -1.711 1.999 -0.799) 2.750 3.344 ( 2.004 0.633 2.067) 2.948 3.365 ( 1.160 -0.301 1.817) 2.177 3.396 ( -0.702 -1.291 -2.210) 2.654 3.454 ( -0.180 -0.307 1.140) 1.194 3.458 ( -0.355 -0.316 0.866) 0.987 3.519 ( -1.623 0.575 -2.159) 2.761 3.554 ( -1.535 -1.173 -2.085) 2.842 3.608 ( 0.261 1.215 -1.423) 1.889 3.648 ( -0.277 -0.730 -1.038) 1.299 3.705 ( 1.811 0.647 1.422) 2.391 3.731 ( 1.478 -0.429 1.958) 2.490 3.745 ( -3.004 0.433 -2.072) 3.675 3.760 ( -3.013 -0.207 -1.623) 3.428 3.857 ( 1.767 -0.067 -0.537) 1.848 3.860 ( 1.513 -0.119 -0.525) 1.606 3.894 ( 0.587 0.135 0.677) 0.906 3.899 ( 0.139 -0.030 0.039) 0.148 3.950 ( 0.102 0.127 0.082) 0.182 3.952 ( 0.202 0.026 0.029) 0.205 4.193 ( 0.954 0.483 2.162) 2.412 4.216 ( 0.698 -0.509 1.399) 1.645 4.479 ( -0.954 0.626 -1.600) 1.965 4.488 ( -0.182 0.284 -1.818) 1.848 4.628 ( -0.148 0.509 0.691) 0.871 4.651 ( -1.228 0.770 0.526) 1.542 4.728 ( 0.330 -0.352 0.932) 1.049 4.764 ( 0.393 -0.871 0.386) 1.031 5.035 ( 0.557 0.161 0.377) 0.691 5.043 ( 0.593 -0.133 0.269) 0.665 5.144 ( -2.459 0.220 -0.646) 2.552 5.160 ( -2.390 -0.433 -0.727) 2.536 5.437 ( 1.542 0.280 0.451) 1.631 5.451 ( 1.732 -0.335 0.414) 1.812 6.032 ( 1.612 0.458 2.462) 2.978 6.080 ( 2.543 -1.899 1.444) 3.487 6.654 ( -2.025 0.555 -1.583) 2.629 6.667 ( -2.155 -0.115 -2.430) 3.249 6.669 ( -3.227 0.063 -2.954) 4.375 6.682 ( -2.620 -0.372 -2.223) 3.456 6.791 ( 0.021 0.255 0.400) 0.475 6.801 ( -0.765 -0.150 -0.346) 0.853 6.839 ( -0.656 0.229 -2.096) 2.208 6.850 ( -1.213 -0.216 -2.505) 2.791 7.062 ( 2.420 0.192 1.411) 2.807 7.072 ( 1.485 -0.248 0.579) 1.613 7.252 ( 2.556 0.068 5.166) 5.764 7.259 ( 2.088 -0.157 4.530) 4.991 7.296 ( 0.430 -0.060 1.387) 1.454 7.298 ( 0.523 -0.055 1.660) 1.741 7.392 ( -0.714 0.718 -1.413) 1.739 7.426 ( -0.969 -0.649 -1.521) 1.916 7.625 ( 0.506 0.165 1.168) 1.283 7.639 ( 0.228 -0.370 0.711) 0.833 7.998 ( -0.362 0.551 -0.298) 0.724 8.025 ( -0.156 -0.582 -0.706) 0.928 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 9.653 0.726 12.167) 15.548 0.855 ( 9.241 2.322 8.658) 12.874 0.875 ( 2.900 -3.877 2.670) 5.530 0.945 ( 2.232 -0.587 2.798) 3.628 1.016 ( -3.204 0.847 -5.659) 6.558 1.092 ( -1.354 1.768 -1.344) 2.601 1.111 ( -3.347 -1.664 -7.414) 8.303 1.123 ( 2.145 0.111 -3.437) 4.053 1.160 ( -3.770 -1.227 -6.661) 7.751 1.193 ( 0.639 -1.693 -1.472) 2.333 1.409 ( -0.157 -0.135 8.135) 8.138 1.450 ( 0.054 -0.682 6.167) 6.205 1.569 ( 5.913 0.524 4.339) 7.353 1.600 ( 7.493 0.396 6.510) 9.934 1.673 ( 1.893 0.679 4.537) 4.963 1.714 ( -3.300 4.296 3.186) 6.284 1.720 ( 0.076 -1.156 1.502) 1.897 1.785 ( -1.605 1.245 -1.550) 2.556 1.817 ( -7.012 -0.042 -15.668) 17.166 1.844 ( -1.218 -0.324 -8.523) 8.616 1.867 ( 1.976 -0.105 3.442) 3.970 1.961 ( -1.323 -3.218 -0.105) 3.481 2.144 ( 6.296 1.662 -3.098) 7.211 2.180 ( 5.175 0.304 -4.999) 7.202 2.271 ( 1.239 2.170 -1.533) 2.932 2.302 ( 3.191 0.637 4.363) 5.443 2.347 ( -0.104 0.169 3.326) 3.332 2.375 ( -1.602 -0.009 -3.348) 3.712 2.436 ( 0.101 -1.665 2.212) 2.770 2.461 ( -1.646 -2.652 -1.904) 3.656 2.541 ( -2.202 0.062 3.418) 4.067 2.571 ( -2.070 -1.381 4.047) 4.751 2.602 ( -1.399 0.264 -2.091) 2.530 2.623 ( -2.068 -0.666 -1.383) 2.575 2.641 ( 0.074 2.055 2.273) 3.066 2.691 ( 1.279 0.741 -0.537) 1.572 2.719 ( 0.982 1.251 -1.615) 2.267 2.804 ( -0.715 -2.203 -0.101) 2.318 2.846 ( 0.664 -0.143 -0.181) 0.703 2.853 ( -0.474 0.234 -0.418) 0.674 2.894 ( -0.492 0.562 -3.390) 3.471 2.905 ( -0.201 0.040 -1.290) 1.307 3.000 ( -0.918 -0.195 1.470) 1.744 3.025 ( 0.212 -0.905 0.110) 0.936 3.070 ( -1.435 0.156 2.714) 3.074 3.083 ( -2.057 -0.400 3.904) 4.431 3.137 ( -0.449 0.534 0.599) 0.920 3.146 ( -0.479 0.177 0.690) 0.859 3.189 ( 0.788 -0.012 2.201) 2.338 3.195 ( 0.402 -0.056 -0.770) 0.871 3.223 ( -0.614 0.365 -1.335) 1.514 3.227 ( -0.033 0.148 -1.791) 1.798 3.297 ( 0.510 1.193 0.724) 1.486 3.359 ( -0.182 -1.098 -0.848) 1.399 3.408 ( 2.192 0.214 1.223) 2.519 3.413 ( 2.287 0.166 0.888) 2.459 3.453 ( -0.926 0.069 1.021) 1.380 3.464 ( -0.840 -0.177 0.741) 1.133 3.497 ( 0.642 0.267 0.346) 0.776 3.534 ( 0.767 -1.489 -0.450) 1.734 3.606 ( 0.716 0.657 -1.854) 2.093 3.619 ( -1.761 -0.115 -2.889) 3.386 3.659 ( -3.196 0.509 -2.916) 4.356 3.681 ( -2.301 -0.379 -1.936) 3.031 3.741 ( 0.541 0.572 1.053) 1.314 3.764 ( 0.309 -0.338 0.963) 1.066 3.875 ( 0.519 -0.042 0.201) 0.558 3.881 ( 0.483 -0.244 0.697) 0.882 3.908 ( 1.152 0.308 -0.575) 1.324 3.920 ( 1.513 -0.218 0.028) 1.529 3.950 ( -0.132 0.132 0.151) 0.240 3.953 ( -0.115 0.007 -0.100) 0.152 4.214 ( -0.259 0.177 0.449) 0.548 4.224 ( -0.602 -0.280 0.097) 0.671 4.460 ( -0.045 0.887 -0.230) 0.918 4.487 ( 0.783 -0.242 -0.075) 0.823 4.627 ( -0.257 0.772 0.285) 0.862 4.640 ( -0.445 0.531 0.423) 0.812 4.728 ( -0.468 0.028 -0.265) 0.539 4.768 ( 0.077 -1.423 -0.805) 1.637 5.053 ( 0.793 0.046 0.394) 0.887 5.056 ( 0.359 -0.037 0.185) 0.405 5.099 ( -1.960 0.406 0.697) 2.120 5.123 ( -1.267 -0.579 0.769) 1.591 5.457 ( 0.814 0.278 -0.853) 1.211 5.471 ( 0.562 -0.278 -0.658) 0.909 6.057 ( -0.159 0.714 -0.283) 0.784 6.104 ( -0.112 -1.301 -1.359) 1.885 6.603 ( -1.361 0.432 0.694) 1.588 6.609 ( -1.337 0.035 0.479) 1.420 6.634 ( -0.183 0.237 -0.105) 0.317 6.658 ( -0.189 -0.597 0.087) 0.633 6.778 ( -0.680 0.150 -0.527) 0.873 6.788 ( -0.693 -0.258 -0.233) 0.776 6.828 ( 0.285 0.275 0.054) 0.400 6.836 ( 0.454 -0.019 0.196) 0.495 7.088 ( 0.393 0.225 -0.707) 0.839 7.097 ( 0.780 -0.126 -0.129) 0.801 7.280 ( -0.235 0.185 0.179) 0.349 7.292 ( -0.043 -0.343 0.056) 0.350 7.315 ( -1.167 0.243 -0.083) 1.195 7.325 ( -0.480 -0.205 1.462) 1.552 7.387 ( 1.048 0.323 1.016) 1.495 7.404 ( 0.410 -0.353 -0.639) 0.838 7.629 ( -0.515 0.132 -0.024) 0.533 7.640 ( -0.327 -0.316 -0.297) 0.543 7.987 ( -0.450 0.589 -0.332) 0.812 8.016 ( -0.185 -0.604 -0.743) 0.975 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -11.855 4.707 -3.976) 13.361 0.919 ( -2.746 -2.573 0.740) 3.835 0.971 ( -5.255 -0.056 4.288) 6.782 1.006 ( 3.243 -0.084 2.161) 3.898 1.043 ( 3.320 -0.298 -2.728) 4.307 1.091 ( 4.059 -0.402 1.305) 4.282 1.109 ( 3.210 0.520 0.928) 3.382 1.135 ( 3.559 -1.175 4.509) 5.863 1.157 ( 3.784 0.725 2.473) 4.579 1.276 ( 5.828 -3.657 3.573) 7.753 1.359 ( -13.175 0.015 -14.058) 19.266 1.371 ( -10.905 -0.270 -13.221) 17.140 1.497 ( -2.909 0.247 3.408) 4.487 1.512 ( -2.544 -0.334 4.635) 5.298 1.603 ( -2.337 2.071 0.598) 3.179 1.640 ( -3.722 -0.303 -2.728) 4.625 1.739 ( 3.546 1.852 2.232) 4.581 1.760 ( 2.183 0.351 -0.825) 2.360 1.779 ( 2.105 0.934 -0.943) 2.488 1.927 ( -0.870 -3.171 0.505) 3.327 2.058 ( 6.724 0.833 4.871) 8.344 2.099 ( 8.072 -1.041 5.160) 9.637 2.202 ( 0.857 1.081 -4.282) 4.498 2.217 ( 3.086 0.510 -2.528) 4.022 2.258 ( -0.629 0.382 -3.732) 3.803 2.276 ( -3.450 0.832 -2.627) 4.415 2.325 ( -2.407 0.255 1.490) 2.842 2.353 ( -2.372 0.537 -0.059) 2.433 2.396 ( -1.214 -1.534 -3.450) 3.966 2.492 ( 3.076 -1.472 2.239) 4.079 2.523 ( 0.672 0.883 2.756) 2.971 2.562 ( -1.565 -1.222 3.224) 3.787 2.581 ( -0.702 1.251 -1.004) 1.751 2.593 ( 0.859 0.200 1.745) 1.956 2.634 ( -1.723 0.678 3.267) 3.755 2.699 ( -0.524 -0.421 -1.476) 1.622 2.762 ( 2.740 0.642 2.098) 3.510 2.806 ( 1.676 -1.270 -1.808) 2.773 2.845 ( 0.462 0.376 -1.668) 1.771 2.863 ( 0.034 -0.937 0.536) 1.080 2.891 ( 1.868 0.880 -0.456) 2.115 2.900 ( 0.692 0.481 0.285) 0.890 2.992 ( -1.395 -0.307 2.388) 2.782 3.023 ( -0.455 -0.660 1.226) 1.465 3.090 ( 0.068 -0.204 3.135) 3.142 3.100 ( -0.660 -0.941 2.720) 2.953 3.126 ( 0.092 0.923 1.003) 1.366 3.136 ( -0.802 0.300 1.818) 2.010 3.162 ( -1.981 -0.063 -0.953) 2.199 3.174 ( -0.412 -0.167 -1.987) 2.036 3.240 ( 1.057 0.810 1.533) 2.030 3.259 ( 1.661 -0.161 1.639) 2.340 3.321 ( 0.396 0.847 1.042) 1.400 3.377 ( 1.702 -1.244 0.981) 2.325 3.421 ( -1.494 0.263 -0.605) 1.633 3.428 ( -2.244 -0.064 -0.638) 2.334 3.450 ( 0.757 0.122 0.842) 1.139 3.457 ( 0.007 -0.017 0.915) 0.915 3.529 ( 1.586 0.268 2.043) 2.600 3.559 ( 0.638 -0.752 0.990) 1.398 3.579 ( 2.395 -0.158 -2.536) 3.492 3.596 ( 1.030 -0.384 -2.986) 3.182 3.632 ( 1.349 0.871 -0.756) 1.775 3.656 ( 0.311 -0.337 -1.410) 1.482 3.743 ( -0.642 0.369 -0.199) 0.767 3.756 ( -0.944 -0.157 -0.970) 1.363 3.882 ( 0.019 0.034 0.276) 0.279 3.887 ( -0.270 -0.109 0.667) 0.727 3.927 ( 0.711 0.167 -0.205) 0.758 3.938 ( -0.140 -0.320 -0.232) 0.419 3.947 ( -0.254 0.076 -0.114) 0.289 3.949 ( 0.220 0.008 0.112) 0.247 4.190 ( -1.477 0.245 -1.227) 1.935 4.204 ( -0.952 -0.292 -0.899) 1.341 4.475 ( 0.944 0.968 1.282) 1.863 4.510 ( 1.013 -0.557 1.273) 1.719 4.622 ( -0.501 1.303 -0.002) 1.396 4.640 ( 0.054 0.607 0.408) 0.733 4.716 ( -0.040 -0.154 -1.089) 1.100 4.754 ( -0.288 -1.697 -2.091) 2.709 5.046 ( -1.078 0.095 -0.329) 1.131 5.049 ( -0.739 -0.035 -0.304) 0.800 5.111 ( 1.255 0.404 2.667) 2.975 5.135 ( 0.870 -0.602 2.575) 2.784 5.453 ( -0.106 0.229 -1.993) 2.009 5.464 ( -0.251 -0.210 -1.842) 1.871 6.025 ( -1.546 0.607 -2.788) 3.245 6.062 ( -1.662 -0.923 -4.131) 4.548 6.625 ( 1.510 0.641 3.227) 3.619 6.640 ( 2.214 -0.012 4.219) 4.765 6.653 ( 1.509 -0.017 2.302) 2.752 6.670 ( 0.783 -0.544 1.398) 1.692 6.773 ( -0.269 0.082 -0.580) 0.644 6.777 ( 0.583 -0.109 0.294) 0.662 6.852 ( 0.904 0.124 1.619) 1.858 6.855 ( 1.274 0.062 2.079) 2.440 7.077 ( -0.460 0.334 -1.915) 1.997 7.091 ( -0.686 -0.219 -1.461) 1.629 7.255 ( -2.832 0.020 -3.729) 4.683 7.260 ( -3.094 -0.247 -3.300) 4.530 7.273 ( -0.649 0.378 -1.159) 1.381 7.291 ( -0.879 -0.389 -1.339) 1.648 7.419 ( 0.500 0.290 2.097) 2.175 7.432 ( 1.093 -0.249 1.664) 2.007 7.610 ( -0.846 0.250 -1.227) 1.511 7.625 ( -0.516 -0.367 -1.342) 1.484 7.981 ( 0.082 0.613 -0.384) 0.728 8.011 ( 0.288 -0.638 -0.783) 1.051 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -8.523 9.672 -0.465) 12.899 0.748 ( -15.821 4.380 -4.264) 16.961 0.872 ( -3.200 -6.742 -0.899) 7.517 0.943 ( -12.218 -3.216 -7.799) 14.847 0.965 ( -17.436 1.289 -2.030) 17.601 1.004 ( -5.266 0.773 -1.381) 5.498 1.084 ( -0.205 -0.905 -2.513) 2.679 1.112 ( 2.686 -1.078 -3.195) 4.311 1.245 ( 5.454 1.773 6.440) 8.623 1.311 ( 2.197 -0.228 3.945) 4.521 1.333 ( 5.678 0.096 5.250) 7.734 1.386 ( 1.066 -1.452 2.497) 3.079 1.504 ( 0.900 -1.031 1.259) 1.859 1.543 ( 1.133 -1.255 -0.454) 1.751 1.593 ( 4.059 1.547 5.756) 7.212 1.628 ( 2.591 1.438 4.296) 5.219 1.718 ( -2.620 1.115 -0.472) 2.886 1.833 ( 3.580 0.230 0.333) 3.603 1.870 ( 4.753 -0.961 0.599) 4.886 1.897 ( -1.618 -2.926 -2.640) 4.261 2.033 ( -5.344 0.495 -5.015) 7.346 2.059 ( -2.628 0.261 -8.566) 8.963 2.124 ( -5.362 -0.102 -4.086) 6.742 2.159 ( -5.004 -1.141 -8.834) 10.217 2.251 ( -0.909 0.753 1.117) 1.625 2.262 ( 0.069 0.050 2.449) 2.450 2.281 ( -4.493 0.632 0.963) 4.638 2.339 ( -1.042 -2.212 2.803) 3.719 2.397 ( 2.395 3.408 -1.459) 4.414 2.513 ( -0.886 2.150 -0.729) 2.437 2.554 ( -0.253 -0.691 1.102) 1.325 2.599 ( 1.383 -1.556 1.028) 2.322 2.623 ( 2.593 0.089 1.602) 3.049 2.664 ( 0.160 0.246 1.796) 1.820 2.679 ( 5.160 0.207 4.992) 7.183 2.685 ( 3.369 -0.036 1.987) 3.912 2.821 ( 2.164 -0.500 0.047) 2.222 2.834 ( 2.103 -0.522 0.845) 2.326 2.855 ( 1.214 -0.036 -0.431) 1.288 2.870 ( 1.728 -0.314 -0.950) 1.997 2.915 ( 1.035 0.151 0.241) 1.073 2.927 ( 0.626 -0.017 0.867) 1.069 2.993 ( -0.923 0.498 4.380) 4.504 3.035 ( -0.212 -0.669 2.228) 2.336 3.079 ( -1.285 0.023 0.206) 1.302 3.088 ( -1.042 -0.282 -0.038) 1.080 3.119 ( -0.798 0.339 -0.822) 1.194 3.139 ( -0.438 -0.395 0.439) 0.735 3.168 ( 0.967 0.469 2.874) 3.069 3.192 ( 1.053 -0.260 1.423) 1.789 3.264 ( 0.536 1.067 1.086) 1.614 3.282 ( -0.176 0.075 -0.070) 0.203 3.307 ( -1.132 0.353 -0.931) 1.508 3.358 ( -1.509 -0.967 -0.988) 2.047 3.392 ( -1.530 0.553 1.070) 1.948 3.428 ( 0.914 -0.927 1.366) 1.887 3.473 ( 1.086 0.052 1.699) 2.017 3.478 ( 1.096 -0.050 1.822) 2.127 3.574 ( 0.972 -0.055 2.164) 2.373 3.587 ( 1.381 -0.732 0.425) 1.620 3.616 ( 2.347 0.289 -2.106) 3.167 3.630 ( 3.206 -0.301 -1.631) 3.609 3.649 ( 1.314 0.420 -1.842) 2.301 3.655 ( 1.192 0.001 -1.789) 2.150 3.721 ( -0.794 0.129 -1.554) 1.750 3.732 ( -0.125 -0.326 -1.420) 1.463 3.875 ( -0.727 0.057 -0.721) 1.026 3.881 ( -0.767 -0.149 -0.688) 1.041 3.916 ( -0.879 0.022 -0.060) 0.881 3.920 ( -1.025 -0.152 0.204) 1.056 3.950 ( 0.183 0.133 0.190) 0.295 3.955 ( -0.071 -0.095 0.211) 0.242 4.162 ( -0.726 0.493 -0.054) 0.879 4.186 ( -0.301 -0.470 -0.387) 0.679 4.503 ( 0.891 0.898 1.191) 1.738 4.536 ( 0.716 -0.649 1.093) 1.459 4.609 ( -0.644 1.701 -0.331) 1.849 4.648 ( 0.391 1.005 0.747) 1.312 4.715 ( 0.414 -0.830 -0.618) 1.115 4.735 ( 0.234 -1.449 -1.921) 2.418 5.029 ( -0.525 0.135 -0.072) 0.547 5.035 ( -0.473 -0.083 -0.256) 0.544 5.160 ( 1.641 0.267 2.593) 3.080 5.179 ( 1.422 -0.508 2.928) 3.294 5.425 ( -1.022 0.210 -2.576) 2.779 5.436 ( -0.738 -0.292 -2.808) 2.918 5.978 ( -1.183 0.313 -2.304) 2.609 6.001 ( -1.465 -0.729 -3.932) 4.259 6.678 ( 1.857 0.308 1.983) 2.735 6.693 ( 1.053 -0.410 0.987) 1.500 6.724 ( 2.884 0.123 3.677) 4.675 6.728 ( 2.544 0.114 3.376) 4.229 6.777 ( 1.095 0.483 0.830) 1.457 6.800 ( 1.320 -0.519 1.362) 1.966 6.893 ( 1.696 0.197 2.554) 3.072 6.900 ( 1.403 -0.051 2.058) 2.492 7.048 ( -0.739 0.151 -2.074) 2.207 7.057 ( -1.323 -0.184 -1.420) 1.949 7.147 ( -4.806 0.224 -5.471) 7.285 7.160 ( -3.679 -0.333 -4.807) 6.062 7.260 ( -0.161 0.224 -0.703) 0.755 7.273 ( -0.255 -0.294 -1.017) 1.089 7.433 ( -0.370 0.461 1.506) 1.618 7.455 ( 0.212 -0.406 1.241) 1.323 7.588 ( -0.321 0.405 -1.249) 1.352 7.609 ( 0.022 -0.456 -1.261) 1.341 7.985 ( 0.641 0.599 -0.458) 0.990 8.015 ( 0.754 -0.663 -0.804) 1.286 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -6.725 11.843 1.179) 13.670 0.455 ( -10.843 7.542 6.891) 14.897 0.669 ( -17.025 5.891 12.986) 22.208 0.685 ( -12.167 -2.388 3.770) 12.960 0.767 ( -6.589 -6.285 2.170) 9.361 0.958 ( 0.856 -5.381 0.813) 5.509 1.096 ( 2.737 -0.101 -2.593) 3.772 1.150 ( 2.005 -0.912 -1.494) 2.662 1.308 ( -1.989 2.153 -1.586) 3.332 1.346 ( -0.505 0.682 3.509) 3.610 1.368 ( 0.134 -0.886 -0.128) 0.905 1.407 ( 0.837 -0.841 -1.130) 1.638 1.569 ( 5.396 1.288 -0.204) 5.551 1.594 ( 2.548 1.200 -2.417) 3.711 1.665 ( 0.348 -0.300 -2.368) 2.412 1.689 ( 0.164 -0.685 -3.419) 3.490 1.780 ( 6.460 -0.901 3.348) 7.331 1.802 ( -1.046 -3.235 -3.540) 4.908 1.863 ( -5.178 -0.820 -6.544) 8.385 1.895 ( -1.582 -1.274 -3.649) 4.177 1.943 ( -0.583 1.298 0.039) 1.423 1.987 ( -1.971 -0.125 0.073) 1.976 2.032 ( 1.119 0.405 5.373) 5.503 2.062 ( 0.058 -0.539 4.279) 4.313 2.203 ( -4.772 1.583 4.017) 6.436 2.230 ( -2.065 0.333 1.576) 2.619 2.287 ( 0.376 0.115 0.494) 0.631 2.323 ( -1.611 -0.398 1.799) 2.448 2.422 ( 1.696 1.931 -1.644) 3.051 2.494 ( -0.085 1.291 -1.757) 2.182 2.548 ( -0.563 -0.850 -0.428) 1.106 2.593 ( -1.433 -0.866 -1.487) 2.239 2.634 ( -1.114 0.582 -1.686) 2.102 2.676 ( 2.695 -0.089 -0.994) 2.874 2.743 ( 0.071 -0.833 -0.057) 0.838 2.778 ( 0.970 -1.563 0.471) 1.899 2.848 ( 1.203 1.578 -0.798) 2.139 2.863 ( 1.273 0.095 -0.766) 1.489 2.889 ( 0.191 -0.886 -0.594) 1.084 2.909 ( 3.609 -1.313 -0.356) 3.857 2.940 ( 0.654 0.479 0.274) 0.856 2.944 ( 2.081 0.145 -0.381) 2.120 3.005 ( -2.113 0.310 3.027) 3.704 3.018 ( -1.905 -1.034 1.125) 2.443 3.069 ( -1.025 0.123 -0.870) 1.350 3.072 ( -0.828 0.195 -0.755) 1.138 3.113 ( 0.665 0.848 2.524) 2.744 3.151 ( 0.206 -0.818 2.967) 3.085 3.178 ( -0.193 0.329 -0.908) 0.985 3.195 ( -0.116 -0.319 -1.353) 1.395 3.273 ( -0.371 0.563 1.056) 1.253 3.280 ( 0.105 0.830 0.503) 0.976 3.308 ( 0.434 -0.045 2.020) 2.066 3.348 ( -0.142 -0.853 -0.271) 0.906 3.376 ( -1.131 1.019 1.041) 1.844 3.437 ( -0.447 -1.834 0.290) 1.910 3.505 ( 0.396 -0.060 -0.108) 0.415 3.506 ( 0.082 -0.075 0.005) 0.111 3.568 ( -0.761 0.963 -1.338) 1.816 3.597 ( 0.319 -0.532 -1.435) 1.563 3.621 ( 0.786 0.313 -0.140) 0.857 3.642 ( 0.772 -0.411 -0.401) 0.962 3.674 ( 0.250 -0.146 -1.021) 1.061 3.691 ( -0.787 -1.559 -1.087) 2.057 3.716 ( 4.077 0.605 -0.983) 4.238 3.738 ( 2.787 -0.207 -1.481) 3.163 3.847 ( -1.263 -0.046 -1.002) 1.613 3.852 ( -1.007 -0.201 -0.860) 1.339 3.911 ( -0.833 0.136 1.156) 1.431 3.917 ( -0.031 -0.064 1.259) 1.261 3.948 ( -0.336 0.054 -0.206) 0.398 3.949 ( -0.431 -0.050 -0.107) 0.447 4.158 ( -0.211 0.558 0.715) 0.931 4.184 ( 0.087 -0.516 0.076) 0.529 4.519 ( 0.264 0.835 -0.105) 0.883 4.540 ( -0.316 -0.105 -1.398) 1.437 4.606 ( 0.144 1.063 1.164) 1.583 4.668 ( 0.952 1.684 1.246) 2.301 4.708 ( -0.146 -1.897 -1.303) 2.306 4.746 ( 1.048 -0.832 0.264) 1.363 5.025 ( -0.003 0.107 -0.025) 0.110 5.029 ( 0.056 -0.075 -0.184) 0.207 5.198 ( 0.603 0.342 1.411) 1.572 5.220 ( 0.585 -0.514 1.715) 1.884 5.389 ( -0.650 0.147 -1.285) 1.447 5.400 ( -0.929 -0.362 -2.199) 2.414 5.957 ( -0.291 -0.044 -0.317) 0.432 5.958 ( -0.344 -0.055 -0.431) 0.554 6.710 ( 0.492 0.008 -0.199) 0.531 6.714 ( 0.573 -0.047 0.200) 0.609 6.761 ( 0.775 0.197 -0.255) 0.840 6.769 ( 0.727 -0.062 0.075) 0.733 6.837 ( 0.936 0.025 0.277) 0.977 6.841 ( 1.981 -0.053 1.600) 2.547 6.904 ( -0.937 0.417 -0.762) 1.277 6.918 ( -0.525 -0.198 -0.438) 0.712 7.023 ( -3.366 0.759 -5.189) 6.232 7.044 ( -0.390 -0.098 -1.398) 1.454 7.063 ( 1.422 0.100 4.291) 4.522 7.076 ( -0.548 -0.561 1.592) 1.775 7.261 ( 0.474 0.038 0.431) 0.642 7.269 ( 0.325 -0.233 -0.110) 0.415 7.429 ( -0.849 0.615 0.711) 1.267 7.459 ( -0.327 -0.507 0.470) 0.765 7.585 ( 0.525 0.527 -0.062) 0.747 7.610 ( 0.640 -0.499 -0.249) 0.849 7.995 ( 0.739 0.565 -0.428) 1.024 8.024 ( 0.787 -0.652 -0.773) 1.281 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -3.444 -5.727 8.560) 10.860 0.487 ( -3.444 5.727 8.560) 10.860 0.602 ( 2.114 -10.970 6.452) 12.901 0.602 ( 2.114 10.970 6.452) 12.901 0.884 ( 3.415 -8.309 16.609) 18.883 0.884 ( 3.415 8.309 16.609) 18.883 1.150 ( 2.390 -1.337 -1.001) 2.916 1.150 ( 2.390 1.337 -1.001) 2.916 1.290 ( -1.003 -1.965 -6.065) 6.454 1.290 ( -1.003 1.965 -6.065) 6.454 1.383 ( -0.965 -0.643 1.313) 1.752 1.383 ( -0.965 0.643 1.313) 1.752 1.557 ( -4.201 -0.955 -7.752) 8.869 1.557 ( -4.201 0.955 -7.752) 8.869 1.622 ( -2.400 -0.515 -8.547) 8.893 1.622 ( -2.400 0.515 -8.547) 8.893 1.759 ( 3.551 -1.617 0.662) 3.957 1.759 ( 3.551 1.617 0.662) 3.957 1.884 ( 3.724 -0.792 0.268) 3.817 1.884 ( 3.724 0.792 0.268) 3.817 1.945 ( -2.536 -1.707 3.656) 4.766 1.945 ( -2.536 1.707 3.656) 4.766 2.190 ( 0.404 -1.101 4.782) 4.924 2.190 ( 0.404 1.101 4.782) 4.924 2.213 ( 4.042 -0.454 8.842) 9.733 2.213 ( 4.042 0.454 8.842) 9.733 2.300 ( -1.350 -1.303 0.608) 1.972 2.300 ( -1.350 1.303 0.608) 1.972 2.462 ( 0.064 -2.119 -3.667) 4.236 2.462 ( 0.064 2.119 -3.667) 4.236 2.517 ( -1.280 -2.095 -3.362) 4.163 2.517 ( -1.280 2.095 -3.362) 4.163 2.651 ( -0.533 -2.498 -1.717) 3.077 2.651 ( -0.533 2.498 -1.717) 3.077 2.733 ( -0.711 -1.086 -2.550) 2.862 2.733 ( -0.711 1.086 -2.550) 2.862 2.837 ( -0.527 -1.062 -2.747) 2.992 2.837 ( -0.527 1.062 -2.747) 2.992 2.902 ( -2.927 -1.248 0.824) 3.287 2.902 ( -2.927 1.248 0.824) 3.287 2.946 ( 0.177 -0.713 -2.131) 2.254 2.946 ( 0.177 0.713 -2.131) 2.254 2.990 ( 0.178 -0.880 0.464) 1.011 2.990 ( 0.178 0.880 0.464) 1.011 3.082 ( 1.565 -0.271 1.516) 2.196 3.082 ( 1.565 0.271 1.516) 2.196 3.152 ( -1.005 -0.578 1.681) 2.042 3.152 ( -1.005 0.578 1.681) 2.042 3.172 ( -0.186 -0.601 -1.494) 1.621 3.172 ( -0.186 0.601 -1.494) 1.621 3.281 ( -0.406 -0.456 -0.093) 0.618 3.281 ( -0.406 0.456 -0.093) 0.618 3.331 ( -0.096 -0.884 0.973) 1.318 3.331 ( -0.096 0.884 0.973) 1.318 3.386 ( -1.210 -1.833 0.002) 2.197 3.386 ( -1.210 1.833 0.002) 2.197 3.471 ( -1.185 -0.224 -2.511) 2.786 3.471 ( -1.185 0.224 -2.511) 2.786 3.581 ( -1.267 -1.118 -0.934) 1.930 3.581 ( -1.267 1.118 -0.934) 1.930 3.634 ( 0.026 -0.716 0.019) 0.717 3.634 ( 0.026 0.716 0.019) 0.717 3.673 ( 1.709 -0.432 0.108) 1.767 3.673 ( 1.709 0.432 0.108) 1.767 3.783 ( 1.288 -0.038 0.178) 1.301 3.783 ( 1.288 0.038 0.178) 1.301 3.833 ( 0.830 -0.521 -0.938) 1.357 3.833 ( 0.830 0.521 -0.938) 1.357 3.904 ( -1.371 -0.406 0.654) 1.573 3.904 ( -1.371 0.406 0.654) 1.573 3.947 ( 0.290 -0.048 0.006) 0.294 3.947 ( 0.290 0.048 0.006) 0.294 4.180 ( 0.487 -0.787 1.018) 1.375 4.180 ( 0.487 0.787 1.018) 1.375 4.517 ( -0.730 -0.234 -1.774) 1.933 4.517 ( -0.730 0.234 -1.774) 1.933 4.648 ( 0.062 -2.245 0.077) 2.247 4.648 ( 0.062 2.245 0.077) 2.247 4.731 ( 0.044 -1.952 1.024) 2.205 4.731 ( 0.044 1.952 1.024) 2.205 5.030 ( 0.290 -0.165 0.048) 0.337 5.030 ( 0.290 0.165 0.048) 0.337 5.199 ( -1.840 -0.582 -0.679) 2.046 5.199 ( -1.840 0.582 -0.679) 2.046 5.402 ( 1.737 -0.104 1.060) 2.037 5.402 ( 1.737 0.104 1.060) 2.037 5.984 ( 2.076 -0.363 2.538) 3.299 5.984 ( 2.076 0.363 2.538) 3.299 6.701 ( -1.050 -0.024 -1.619) 1.930 6.701 ( -1.050 0.024 -1.619) 1.930 6.757 ( -1.703 -0.050 -2.256) 2.827 6.757 ( -1.703 0.050 -2.256) 2.827 6.808 ( -1.317 -0.341 -1.962) 2.387 6.808 ( -1.317 0.341 -1.962) 2.387 6.893 ( -1.519 -0.256 -2.749) 3.151 6.893 ( -1.519 0.256 -2.749) 3.151 7.015 ( 1.780 -0.924 1.410) 2.452 7.015 ( 1.780 0.924 1.410) 2.452 7.157 ( 3.228 -0.254 6.285) 7.070 7.157 ( 3.228 0.254 6.285) 7.070 7.278 ( 0.566 -0.075 0.959) 1.117 7.278 ( 0.566 0.075 0.959) 1.117 7.433 ( -0.815 -1.067 -0.406) 1.403 7.433 ( -0.815 1.067 -0.406) 1.403 7.613 ( 0.699 -0.690 0.850) 1.299 7.613 ( 0.699 0.690 0.850) 1.299 8.015 ( 0.317 -0.806 -0.514) 1.007 8.015 ( 0.317 0.806 -0.514) 1.007 ======================= Grid point 49 (26/60) ======================= q-point: ( 0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( 8.583 -6.048 5.941) 12.065 0.620 ( 8.583 6.048 5.941) 12.065 0.704 ( 5.259 -7.188 6.410) 10.973 0.704 ( 5.259 7.188 6.410) 10.973 1.084 ( 3.577 -1.509 5.865) 7.033 1.084 ( 3.577 1.509 5.865) 7.033 1.177 ( -0.535 -2.503 -6.096) 6.612 1.177 ( -0.535 2.503 -6.096) 6.612 1.292 ( 4.545 -1.435 8.069) 9.372 1.292 ( 4.545 1.435 8.069) 9.372 1.343 ( -6.931 -0.702 -6.630) 9.617 1.343 ( -6.931 0.702 -6.630) 9.617 1.406 ( 0.722 -2.092 5.887) 6.289 1.406 ( 0.722 2.092 5.887) 6.289 1.606 ( 3.411 -1.686 -2.117) 4.354 1.606 ( 3.411 1.686 -2.117) 4.354 1.799 ( 0.119 -1.877 -0.090) 1.883 1.799 ( 0.119 1.877 -0.090) 1.883 1.901 ( -1.607 -1.672 -0.209) 2.328 1.901 ( -1.607 1.672 -0.209) 2.328 1.991 ( 3.984 -2.363 -1.930) 5.018 1.991 ( 3.984 2.363 -1.930) 5.018 2.169 ( -3.435 -1.160 -5.355) 6.467 2.169 ( -3.435 1.160 -5.355) 6.467 2.245 ( -0.475 -1.550 0.758) 1.790 2.245 ( -0.475 1.550 0.758) 1.790 2.362 ( 1.508 -2.521 4.458) 5.339 2.362 ( 1.508 2.521 4.458) 5.339 2.435 ( -0.418 -0.573 1.925) 2.051 2.435 ( -0.418 0.573 1.925) 2.051 2.506 ( 2.267 -1.384 -1.351) 2.980 2.506 ( 2.267 1.384 -1.351) 2.980 2.639 ( 0.800 -0.911 -0.692) 1.396 2.639 ( 0.800 0.911 -0.692) 1.396 2.686 ( -1.518 -0.914 -3.652) 4.059 2.686 ( -1.518 0.914 -3.652) 4.059 2.804 ( -3.967 -1.425 0.737) 4.279 2.804 ( -3.967 1.425 0.737) 4.279 2.850 ( -0.187 -0.551 -0.522) 0.782 2.850 ( -0.187 0.551 -0.522) 0.782 2.929 ( -0.219 -0.279 -3.033) 3.054 2.929 ( -0.219 0.279 -3.033) 3.054 3.003 ( 0.212 -0.687 0.773) 1.055 3.003 ( 0.212 0.687 0.773) 1.055 3.110 ( -1.795 -0.639 0.463) 1.960 3.110 ( -1.795 0.639 0.463) 1.960 3.134 ( -0.271 -0.383 2.462) 2.506 3.134 ( -0.271 0.383 2.462) 2.506 3.165 ( 0.510 -0.868 0.174) 1.022 3.165 ( 0.510 0.868 0.174) 1.022 3.260 ( -0.617 -0.201 -2.917) 2.988 3.260 ( -0.617 0.201 -2.917) 2.988 3.349 ( -0.121 -1.243 -0.573) 1.374 3.349 ( -0.121 1.243 -0.573) 1.374 3.364 ( 0.571 -1.251 1.160) 1.799 3.364 ( 0.571 1.251 1.160) 1.799 3.453 ( -0.217 -0.182 0.759) 0.810 3.453 ( -0.217 0.182 0.759) 0.810 3.534 ( -1.786 -0.948 -2.081) 2.902 3.534 ( -1.786 0.948 -2.081) 2.902 3.630 ( 0.016 -1.077 -1.183) 1.600 3.630 ( 0.016 1.077 -1.183) 1.600 3.719 ( 1.609 -0.790 1.651) 2.437 3.719 ( 1.609 0.790 1.651) 2.437 3.754 ( -2.895 -0.432 -1.859) 3.467 3.754 ( -2.895 0.432 -1.859) 3.467 3.858 ( 1.550 -0.086 -0.570) 1.654 3.858 ( 1.550 0.086 -0.570) 1.654 3.897 ( 0.377 -0.140 0.364) 0.542 3.897 ( 0.377 0.140 0.364) 0.542 3.952 ( 0.151 -0.071 0.065) 0.179 3.952 ( 0.151 0.071 0.065) 0.179 4.204 ( 0.799 -0.679 1.746) 2.036 4.204 ( 0.799 0.679 1.746) 2.036 4.489 ( -0.659 -0.297 -1.704) 1.851 4.489 ( -0.659 0.297 -1.704) 1.851 4.646 ( -0.294 -1.108 0.028) 1.146 4.646 ( -0.294 1.108 0.028) 1.146 4.740 ( -0.030 -1.400 1.067) 1.760 4.740 ( -0.030 1.400 1.067) 1.760 5.039 ( 0.576 -0.216 0.319) 0.693 5.039 ( 0.576 0.216 0.319) 0.693 5.151 ( -2.440 -0.500 -0.674) 2.581 5.151 ( -2.440 0.500 -0.674) 2.581 5.444 ( 1.646 -0.405 0.455) 1.755 5.444 ( 1.646 0.405 0.455) 1.755 6.048 ( 2.156 -1.261 2.381) 3.451 6.048 ( 2.156 1.261 2.381) 3.451 6.663 ( -1.364 -0.312 -1.759) 2.248 6.663 ( -1.364 0.312 -1.759) 2.248 6.673 ( -3.670 -0.443 -2.828) 4.654 6.673 ( -3.670 0.443 -2.828) 4.654 6.797 ( -0.334 -0.274 0.117) 0.447 6.797 ( -0.334 0.274 0.117) 0.447 6.845 ( -0.958 -0.333 -2.364) 2.572 6.845 ( -0.958 0.333 -2.364) 2.572 7.067 ( 1.963 -0.260 1.061) 2.246 7.067 ( 1.963 0.260 1.061) 2.246 7.255 ( 2.249 -0.211 4.785) 5.291 7.255 ( 2.249 0.211 4.785) 5.291 7.296 ( 0.587 -0.072 1.637) 1.740 7.296 ( 0.587 0.072 1.637) 1.740 7.410 ( -0.846 -1.006 -1.522) 2.011 7.410 ( -0.846 1.006 -1.522) 2.011 7.631 ( 0.317 -0.453 0.958) 1.106 7.631 ( 0.317 0.453 0.958) 1.106 8.012 ( -0.255 -0.799 -0.492) 0.973 8.012 ( -0.255 0.799 -0.492) 0.973 ======================= Grid point 51 (27/60) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 6.230 -3.219 7.054) 9.947 0.795 ( 6.230 3.219 7.054) 9.947 0.913 ( 8.900 -2.653 6.870) 11.552 0.913 ( 8.900 2.653 6.870) 11.552 1.058 ( -6.887 -3.293 -5.334) 9.313 1.058 ( -6.887 3.293 -5.334) 9.313 1.121 ( 0.063 -0.577 -3.703) 3.749 1.121 ( 0.063 0.577 -3.703) 3.749 1.158 ( -0.887 -1.455 -4.682) 4.982 1.158 ( -0.887 1.455 -4.682) 4.982 1.425 ( 0.079 -1.483 7.457) 7.604 1.425 ( 0.079 1.483 7.457) 7.604 1.589 ( 5.741 -1.213 4.168) 7.197 1.589 ( 5.741 1.213 4.168) 7.197 1.695 ( 1.644 -1.404 4.513) 5.004 1.695 ( 1.644 1.404 4.513) 5.004 1.781 ( -4.733 -1.582 -5.789) 7.644 1.781 ( -4.733 1.582 -5.789) 7.644 1.837 ( -0.516 -0.891 -4.709) 4.821 1.837 ( -0.516 0.891 -4.709) 4.821 1.886 ( -0.835 -3.364 0.185) 3.471 1.886 ( -0.835 3.364 0.185) 3.471 2.173 ( 5.790 -1.106 -3.440) 6.825 2.173 ( 5.790 1.106 -3.440) 6.825 2.305 ( 3.281 -0.788 0.894) 3.491 2.305 ( 3.281 0.788 0.894) 3.491 2.368 ( -1.553 -1.809 0.882) 2.542 2.368 ( -1.553 1.809 0.882) 2.542 2.416 ( -1.560 -1.396 -1.267) 2.447 2.416 ( -1.560 1.396 -1.267) 2.447 2.549 ( -1.422 -0.827 4.840) 5.112 2.549 ( -1.422 0.827 4.840) 5.112 2.610 ( -2.093 -0.569 -2.480) 3.294 2.610 ( -2.093 0.569 -2.480) 3.294 2.681 ( 1.262 -1.776 0.113) 2.182 2.681 ( 1.262 1.776 0.113) 2.182 2.757 ( -0.439 -2.557 0.079) 2.596 2.757 ( -0.439 2.557 0.079) 2.596 2.851 ( 0.188 -0.421 -0.496) 0.677 2.851 ( 0.188 0.421 -0.496) 0.677 2.902 ( -0.010 -0.336 -2.569) 2.591 2.902 ( -0.010 0.336 -2.569) 2.591 3.005 ( -0.620 -0.833 0.993) 1.437 3.005 ( -0.620 0.833 0.993) 1.437 3.076 ( -1.939 -0.352 3.188) 3.748 3.076 ( -1.939 0.352 3.188) 3.748 3.146 ( -0.495 -0.255 0.813) 0.985 3.146 ( -0.495 0.255 0.813) 0.985 3.191 ( 0.577 -0.232 0.971) 1.153 3.191 ( 0.577 0.232 0.971) 1.153 3.227 ( -0.207 -0.140 -1.542) 1.562 3.227 ( -0.207 0.140 -1.542) 1.562 3.329 ( 0.083 -1.912 -0.617) 2.010 3.329 ( 0.083 1.912 -0.617) 2.010 3.413 ( 2.243 -0.215 1.281) 2.592 3.413 ( 2.243 0.215 1.281) 2.592 3.458 ( -0.731 -0.385 1.061) 1.345 3.458 ( -0.731 0.385 1.061) 1.345 3.509 ( 0.504 -1.034 -0.161) 1.161 3.509 ( 0.504 1.034 -0.161) 1.161 3.615 ( -0.516 -0.313 -2.374) 2.450 3.615 ( -0.516 0.313 -2.374) 2.450 3.671 ( -2.735 -0.638 -2.460) 3.734 3.671 ( -2.735 0.638 -2.460) 3.734 3.754 ( 0.425 -0.658 0.995) 1.266 3.754 ( 0.425 0.658 0.995) 1.266 3.876 ( 0.529 -0.195 0.474) 0.736 3.876 ( 0.529 0.195 0.474) 0.736 3.914 ( 1.296 -0.336 -0.302) 1.372 3.914 ( 1.296 0.336 -0.302) 1.372 3.953 ( -0.137 -0.079 0.036) 0.163 3.953 ( -0.137 0.079 0.036) 0.163 4.218 ( -0.430 -0.303 0.256) 0.585 4.218 ( -0.430 0.303 0.256) 0.585 4.477 ( 0.280 -0.766 -0.119) 0.824 4.477 ( 0.280 0.766 -0.119) 0.824 4.642 ( -0.049 -0.490 0.014) 0.492 4.642 ( -0.049 0.490 0.014) 0.492 4.739 ( -0.472 -1.286 -0.228) 1.389 4.739 ( -0.472 1.286 -0.228) 1.389 5.054 ( 0.545 -0.072 0.279) 0.617 5.054 ( 0.545 0.072 0.279) 0.617 5.110 ( -1.564 -0.709 0.730) 1.866 5.110 ( -1.564 0.709 0.730) 1.866 5.464 ( 0.707 -0.390 -0.773) 1.117 5.464 ( 0.707 0.390 -0.773) 1.117 6.077 ( -0.029 -1.354 -0.660) 1.506 6.077 ( -0.029 1.354 -0.660) 1.506 6.609 ( -1.334 -0.120 0.563) 1.453 6.609 ( -1.334 0.120 0.563) 1.453 6.644 ( -0.202 -0.787 0.002) 0.813 6.644 ( -0.202 0.787 0.002) 0.813 6.783 ( -0.740 -0.303 -0.406) 0.896 6.783 ( -0.740 0.303 -0.406) 0.896 6.833 ( 0.421 -0.211 0.157) 0.496 6.833 ( 0.421 0.211 0.157) 0.496 7.093 ( 0.612 -0.255 -0.404) 0.776 7.093 ( 0.612 0.255 -0.404) 0.776 7.285 ( -0.131 -0.334 0.202) 0.412 7.285 ( -0.131 0.334 0.202) 0.412 7.320 ( -0.912 -0.292 0.645) 1.154 7.320 ( -0.912 0.292 0.645) 1.154 7.395 ( 0.795 -0.503 0.124) 0.949 7.395 ( 0.795 0.503 0.124) 0.949 7.634 ( -0.410 -0.336 -0.128) 0.545 7.634 ( -0.410 0.336 -0.128) 0.545 8.002 ( -0.318 -0.841 -0.532) 1.045 8.002 ( -0.318 0.841 -0.532) 1.045 ======================= Grid point 53 (28/60) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -7.482 -6.426 -0.903) 9.904 0.823 ( -7.482 6.426 -0.903) 9.904 0.989 ( 2.222 -1.460 4.152) 4.930 0.989 ( 2.222 1.460 4.152) 4.930 1.065 ( -0.668 -2.033 -3.801) 4.362 1.065 ( -0.668 2.033 -3.801) 4.362 1.120 ( 3.910 -0.437 4.920) 6.299 1.120 ( 3.910 0.437 4.920) 6.299 1.199 ( 5.940 -3.718 3.476) 7.823 1.199 ( 5.940 3.718 3.476) 7.823 1.363 ( -11.598 -0.420 -14.149) 18.300 1.363 ( -11.598 0.420 -14.149) 18.300 1.505 ( -2.970 -0.396 4.683) 5.560 1.505 ( -2.970 0.396 4.683) 5.560 1.629 ( -2.163 -0.848 -1.859) 2.976 1.629 ( -2.163 0.848 -1.859) 2.976 1.762 ( 3.871 -0.229 -0.767) 3.952 1.762 ( 3.871 0.229 -0.767) 3.952 1.842 ( -1.185 -5.155 1.066) 5.396 1.842 ( -1.185 5.155 1.066) 5.396 2.078 ( 7.434 -1.171 5.282) 9.194 2.078 ( 7.434 1.171 5.282) 9.194 2.219 ( 1.624 -0.462 -3.598) 3.974 2.219 ( 1.624 0.462 -3.598) 3.974 2.273 ( -3.752 -1.064 -5.340) 6.612 2.273 ( -3.752 1.064 -5.340) 6.612 2.334 ( -1.873 -0.956 0.649) 2.201 2.334 ( -1.873 0.956 0.649) 2.201 2.438 ( 2.595 -3.671 2.052) 4.942 2.438 ( 2.595 3.671 2.052) 4.942 2.539 ( -1.119 -1.020 3.254) 3.589 2.539 ( -1.119 1.020 3.254) 3.589 2.592 ( 1.294 -0.289 0.184) 1.339 2.592 ( 1.294 0.289 0.184) 1.339 2.672 ( -1.847 -2.303 0.950) 3.101 2.672 ( -1.847 2.303 0.950) 3.101 2.781 ( 2.109 -1.255 -0.012) 2.454 2.781 ( 2.109 1.255 -0.012) 2.454 2.851 ( 0.375 -0.390 -0.937) 1.081 2.851 ( 0.375 0.390 -0.937) 1.081 2.903 ( 1.163 -0.228 -0.253) 1.212 2.903 ( 1.163 0.228 -0.253) 1.212 3.002 ( -0.736 -1.213 1.851) 2.332 3.002 ( -0.736 1.213 1.851) 2.332 3.089 ( -0.241 -0.179 3.082) 3.097 3.089 ( -0.241 0.179 3.082) 3.097 3.139 ( -0.411 -0.165 1.455) 1.521 3.139 ( -0.411 0.165 1.455) 1.521 3.166 ( -1.392 -0.522 -1.352) 2.009 3.166 ( -1.392 0.522 -1.352) 2.009 3.253 ( 1.434 -0.512 1.534) 2.161 3.253 ( 1.434 0.512 1.534) 2.161 3.347 ( 0.895 -1.730 0.598) 2.037 3.347 ( 0.895 1.730 0.598) 2.037 3.426 ( -1.832 -0.179 -0.547) 1.920 3.426 ( -1.832 0.179 -0.547) 1.920 3.454 ( 0.446 -0.229 1.002) 1.121 3.454 ( 0.446 0.229 1.002) 1.121 3.540 ( 1.399 -0.924 1.972) 2.588 3.540 ( 1.399 0.924 1.972) 2.588 3.586 ( 1.393 -0.568 -3.027) 3.380 3.586 ( 1.393 0.568 -3.027) 3.380 3.647 ( 0.825 -0.654 -1.196) 1.593 3.647 ( 0.825 0.654 -1.196) 1.593 3.751 ( -0.807 -0.390 -0.609) 1.083 3.751 ( -0.807 0.390 -0.609) 1.083 3.884 ( -0.096 -0.151 0.524) 0.554 3.884 ( -0.096 0.151 0.524) 0.554 3.932 ( 0.304 -0.338 -0.225) 0.507 3.932 ( 0.304 0.338 -0.225) 0.507 3.948 ( -0.095 -0.052 -0.059) 0.123 3.948 ( -0.095 0.052 -0.059) 0.123 4.196 ( -1.178 -0.422 -1.069) 1.646 4.196 ( -1.178 0.422 -1.069) 1.646 4.495 ( 0.893 -0.994 1.314) 1.874 4.495 ( 0.893 0.994 1.314) 1.874 4.644 ( 0.172 -0.513 0.112) 0.553 4.644 ( 0.172 0.513 0.112) 0.553 4.722 ( -0.479 -1.174 -1.492) 1.958 4.722 ( -0.479 1.174 -1.492) 1.958 5.048 ( -0.887 -0.079 -0.310) 0.943 5.048 ( -0.887 0.079 -0.310) 0.943 5.122 ( 1.049 -0.729 2.588) 2.886 5.122 ( 1.049 0.729 2.588) 2.886 5.459 ( -0.173 -0.305 -1.938) 1.969 5.459 ( -0.173 0.305 -1.938) 1.969 6.042 ( -1.632 -1.057 -3.365) 3.886 6.042 ( -1.632 1.057 -3.365) 3.886 6.637 ( 1.922 -0.396 3.786) 4.264 6.637 ( 1.922 0.396 3.786) 4.264 6.658 ( 1.080 -0.578 1.782) 2.163 6.658 ( 1.080 0.578 1.782) 2.163 6.775 ( 0.175 -0.086 -0.122) 0.230 6.775 ( 0.175 0.086 -0.122) 0.230 6.855 ( 1.073 -0.103 1.829) 2.123 6.855 ( 1.073 0.103 1.829) 2.123 7.084 ( -0.595 -0.406 -1.692) 1.840 7.084 ( -0.595 0.406 -1.692) 1.840 7.256 ( -2.983 -0.150 -3.458) 4.569 7.256 ( -2.983 0.150 -3.458) 4.569 7.282 ( -0.740 -0.529 -1.302) 1.589 7.282 ( -0.740 0.529 -1.302) 1.589 7.425 ( 0.806 -0.377 1.851) 2.054 7.425 ( 0.806 0.377 1.851) 2.054 7.617 ( -0.676 -0.442 -1.255) 1.493 7.617 ( -0.676 0.442 -1.255) 1.493 7.996 ( 0.177 -0.881 -0.584) 1.072 7.996 ( 0.177 0.881 -0.584) 1.072 ======================= Grid point 55 (29/60) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( -4.618 -10.558 -0.272) 11.527 0.703 ( -4.618 10.558 -0.272) 11.527 0.851 ( -13.649 -5.747 -5.481) 15.791 0.851 ( -13.649 5.747 -5.481) 15.791 0.997 ( -12.570 -1.420 -1.116) 12.699 0.997 ( -12.570 1.420 -1.116) 12.699 1.086 ( 2.533 -1.172 -3.872) 4.773 1.086 ( 2.533 1.172 -3.872) 4.773 1.288 ( 4.354 -2.248 4.688) 6.781 1.288 ( 4.354 2.248 4.688) 6.781 1.349 ( 3.413 -1.643 5.771) 6.903 1.349 ( 3.413 1.643 5.771) 6.903 1.513 ( 0.995 -1.537 0.437) 1.882 1.513 ( 0.995 1.537 0.437) 1.882 1.622 ( 3.104 -1.387 3.327) 4.757 1.622 ( 3.104 1.387 3.327) 4.757 1.783 ( -2.198 -4.733 -0.949) 5.304 1.783 ( -2.198 4.733 -0.949) 5.304 1.865 ( 3.528 -0.754 -0.592) 3.656 1.865 ( 3.528 0.754 -0.592) 3.656 2.049 ( -4.397 -1.032 -5.670) 7.249 2.049 ( -4.397 1.032 -5.670) 7.249 2.135 ( -4.947 -1.165 -7.536) 9.090 2.135 ( -4.947 1.165 -7.536) 9.090 2.261 ( 0.463 -0.209 0.566) 0.761 2.261 ( 0.463 0.209 0.566) 0.761 2.300 ( -2.968 -1.660 3.484) 4.869 2.300 ( -2.968 1.660 3.484) 4.869 2.480 ( 0.734 -4.386 -0.912) 4.539 2.480 ( 0.734 4.386 -0.912) 4.539 2.569 ( 1.310 -1.738 1.267) 2.518 2.569 ( 1.310 1.738 1.267) 2.518 2.648 ( -0.405 -1.839 -0.322) 1.910 2.648 ( -0.405 1.839 -0.322) 1.910 2.683 ( 4.874 -0.170 5.126) 7.076 2.683 ( 4.874 0.170 5.126) 7.076 2.821 ( 1.870 -0.523 0.505) 2.007 2.821 ( 1.870 0.523 0.505) 2.007 2.861 ( 1.596 -0.475 -0.436) 1.721 2.861 ( 1.596 0.475 -0.436) 1.721 2.920 ( 0.612 -0.449 0.504) 0.911 2.920 ( 0.612 0.449 0.504) 0.911 3.013 ( -0.248 -1.374 2.781) 3.111 3.013 ( -0.248 1.374 2.781) 3.111 3.083 ( -1.100 -0.275 0.283) 1.168 3.083 ( -1.100 0.275 0.283) 1.168 3.129 ( -0.586 -0.603 -0.346) 0.909 3.129 ( -0.586 0.603 -0.346) 0.909 3.181 ( 0.846 -0.775 2.449) 2.704 3.181 ( 0.846 0.775 2.449) 2.704 3.280 ( 0.463 -0.425 0.375) 0.732 3.280 ( 0.463 0.425 0.375) 0.732 3.329 ( -1.405 -1.809 -1.118) 2.549 3.329 ( -1.405 1.809 -1.118) 2.549 3.408 ( -0.666 -1.029 1.396) 1.858 3.408 ( -0.666 1.029 1.396) 1.858 3.476 ( 1.158 -0.181 1.617) 1.997 3.476 ( 1.158 0.181 1.617) 1.997 3.576 ( 1.091 -0.351 1.428) 1.831 3.576 ( 1.091 0.351 1.428) 1.831 3.624 ( 3.002 -0.430 -1.742) 3.497 3.624 ( 3.002 0.430 -1.742) 3.497 3.654 ( 1.152 -0.163 -1.821) 2.161 3.654 ( 1.152 0.163 -1.821) 2.161 3.725 ( -0.641 -0.302 -1.668) 1.812 3.725 ( -0.641 0.302 -1.668) 1.812 3.878 ( -0.786 -0.167 -0.747) 1.097 3.878 ( -0.786 0.167 -0.747) 1.097 3.917 ( -0.914 -0.135 0.146) 0.936 3.917 ( -0.914 0.135 0.146) 0.936 3.953 ( 0.073 -0.143 0.176) 0.239 3.953 ( 0.073 0.143 0.176) 0.239 4.174 ( -0.487 -0.715 -0.272) 0.907 4.174 ( -0.487 0.715 -0.272) 0.907 4.521 ( 0.757 -0.917 1.216) 1.701 4.521 ( 0.757 0.917 1.216) 1.701 4.646 ( -0.014 -1.623 -0.196) 1.635 4.646 ( -0.014 1.623 -0.196) 1.635 4.710 ( 0.344 -0.819 -0.943) 1.296 4.710 ( 0.344 0.819 -0.943) 1.296 5.032 ( -0.511 -0.155 -0.164) 0.559 5.032 ( -0.511 0.155 -0.164) 0.559 5.168 ( 1.529 -0.582 2.754) 3.203 5.168 ( 1.529 0.582 2.754) 3.203 5.430 ( -0.955 -0.335 -2.686) 2.871 5.430 ( -0.955 0.335 -2.686) 2.871 5.987 ( -1.436 -0.637 -2.887) 3.287 5.987 ( -1.436 0.637 -2.887) 3.287 6.685 ( 1.455 -0.439 1.322) 2.014 6.685 ( 1.455 0.439 1.322) 2.014 6.727 ( 2.747 -0.151 3.726) 4.632 6.727 ( 2.747 0.151 3.726) 4.632 6.788 ( 1.195 -0.674 1.123) 1.773 6.788 ( 1.195 0.674 1.123) 1.773 6.897 ( 1.528 -0.238 2.272) 2.748 6.897 ( 1.528 0.238 2.272) 2.748 7.052 ( -1.088 -0.280 -1.707) 2.043 7.052 ( -1.088 0.280 -1.707) 2.043 7.153 ( -4.198 -0.387 -5.160) 6.663 7.153 ( -4.198 0.387 -5.160) 6.663 7.266 ( -0.215 -0.365 -0.867) 0.965 7.266 ( -0.215 0.365 -0.867) 0.965 7.444 ( -0.060 -0.648 1.353) 1.502 7.444 ( -0.060 0.648 1.353) 1.502 7.598 ( -0.131 -0.618 -1.223) 1.377 7.598 ( -0.131 0.618 -1.223) 1.377 7.999 ( 0.686 -0.883 -0.633) 1.285 7.999 ( 0.686 0.883 -0.633) 1.285 ======================= Grid point 57 (30/60) ======================= q-point: (-0.17 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -8.650 -5.574 1.971) 10.477 0.594 ( -8.650 5.574 1.971) 10.477 0.605 ( -8.947 -7.756 2.057) 12.018 0.605 ( -8.947 7.756 2.057) 12.018 0.818 ( -7.045 -8.554 8.634) 14.048 0.818 ( -7.045 8.554 8.634) 14.048 1.118 ( 2.709 -1.857 -2.345) 4.035 1.118 ( 2.709 1.857 -2.345) 4.035 1.341 ( -1.573 -1.390 0.225) 2.111 1.341 ( -1.573 1.390 0.225) 2.111 1.380 ( 0.770 -1.990 0.272) 2.151 1.380 ( 0.770 1.990 0.272) 2.151 1.596 ( 6.717 -1.190 -0.828) 6.872 1.596 ( 6.717 1.190 -0.828) 6.872 1.675 ( -3.518 -1.314 -5.702) 6.827 1.675 ( -3.518 1.314 -5.702) 6.827 1.761 ( 3.266 -0.188 2.186) 3.934 1.761 ( 3.266 0.188 2.186) 3.934 1.870 ( -2.684 -1.171 -5.422) 6.162 1.870 ( -2.684 1.171 -5.422) 6.162 1.970 ( -1.520 -1.417 0.148) 2.083 1.970 ( -1.520 1.417 0.148) 2.083 2.046 ( 0.839 -0.962 5.076) 5.234 2.046 ( 0.839 0.962 5.076) 5.234 2.229 ( -3.203 -0.656 1.895) 3.779 2.229 ( -3.203 0.656 1.895) 3.779 2.300 ( -0.536 -1.382 2.464) 2.875 2.300 ( -0.536 1.382 2.464) 2.875 2.474 ( 0.428 -3.078 -2.207) 3.812 2.474 ( 0.428 3.078 -2.207) 3.812 2.566 ( -1.072 -2.330 -1.968) 3.233 2.566 ( -1.072 2.330 -1.968) 3.233 2.656 ( 1.028 -1.634 -0.564) 2.012 2.656 ( 1.028 1.634 -0.564) 2.012 2.749 ( 0.179 -1.294 -0.114) 1.312 2.749 ( 0.179 1.294 -0.114) 1.312 2.870 ( 0.527 -0.505 0.103) 0.737 2.870 ( 0.527 0.505 0.103) 0.737 2.881 ( 2.241 -1.319 -0.491) 2.646 2.881 ( 2.241 1.319 -0.491) 2.646 2.945 ( 1.678 -0.088 -0.367) 1.720 2.945 ( 1.678 0.088 -0.367) 1.720 3.009 ( -1.860 -0.138 1.582) 2.446 3.009 ( -1.860 0.138 1.582) 2.446 3.071 ( -0.733 -0.187 -0.631) 0.985 3.071 ( -0.733 0.187 -0.631) 0.985 3.132 ( 0.453 -1.089 2.813) 3.050 3.132 ( 0.453 1.089 2.813) 3.050 3.186 ( -0.317 -0.511 -1.025) 1.188 3.186 ( -0.317 0.511 -1.025) 1.188 3.284 ( -0.305 -0.416 1.032) 1.154 3.284 ( -0.305 0.416 1.032) 1.154 3.324 ( 0.422 -1.537 0.445) 1.655 3.324 ( 0.422 1.537 0.445) 1.655 3.401 ( -0.984 -1.664 0.975) 2.165 3.401 ( -0.984 1.664 0.975) 2.165 3.505 ( 0.235 -0.041 -0.217) 0.322 3.505 ( 0.235 0.041 -0.217) 0.322 3.584 ( 0.027 -0.783 -0.892) 1.187 3.584 ( 0.027 0.783 -0.892) 1.187 3.630 ( 0.482 -0.659 -0.562) 0.991 3.630 ( 0.482 0.659 -0.562) 0.991 3.676 ( -0.100 -0.355 -0.948) 1.017 3.676 ( -0.100 0.355 -0.948) 1.017 3.729 ( 3.321 -0.675 -1.191) 3.592 3.729 ( 3.321 0.675 -1.191) 3.592 3.848 ( -1.188 -0.143 -0.924) 1.512 3.848 ( -1.188 0.143 -0.924) 1.512 3.915 ( -0.391 -0.192 1.238) 1.313 3.915 ( -0.391 0.192 1.238) 1.313 3.949 ( -0.360 -0.012 -0.211) 0.418 3.949 ( -0.360 0.012 -0.211) 0.418 4.171 ( -0.018 -0.771 0.343) 0.844 4.171 ( -0.018 0.771 0.343) 0.844 4.533 ( 0.027 -0.619 -0.322) 0.698 4.533 ( 0.027 0.619 -0.322) 0.698 4.645 ( 0.214 -2.619 -0.257) 2.640 4.645 ( 0.214 2.619 -0.257) 2.640 4.720 ( 0.638 -1.755 0.462) 1.924 4.720 ( 0.638 1.755 0.462) 1.924 5.027 ( 0.025 -0.136 -0.099) 0.170 5.027 ( 0.025 0.136 -0.099) 0.170 5.208 ( 0.634 -0.636 1.575) 1.813 5.208 ( 0.634 0.636 1.575) 1.813 5.393 ( -0.754 -0.272 -1.539) 1.736 5.393 ( -0.754 0.272 -1.539) 1.736 5.957 ( -0.236 -0.022 -0.205) 0.313 5.957 ( -0.236 0.022 -0.205) 0.313 6.712 ( 0.632 -0.154 -0.010) 0.650 6.712 ( 0.632 0.154 -0.010) 0.650 6.766 ( 0.589 -0.257 -0.119) 0.654 6.766 ( 0.589 0.257 -0.119) 0.654 6.839 ( 1.360 -0.134 0.861) 1.615 6.839 ( 1.360 0.134 0.861) 1.615 6.912 ( -0.517 -0.381 -0.419) 0.767 6.912 ( -0.517 0.381 -0.419) 0.767 7.037 ( -2.253 -0.608 -4.023) 4.651 7.037 ( -2.253 0.608 -4.023) 4.651 7.067 ( 0.919 -0.368 3.742) 3.870 7.067 ( 0.919 0.368 3.742) 3.870 7.264 ( 0.337 -0.252 0.111) 0.435 7.264 ( 0.337 0.252 0.111) 0.435 7.445 ( -0.571 -0.911 0.572) 1.218 7.445 ( -0.571 0.911 0.572) 1.218 7.598 ( 0.593 -0.726 -0.159) 0.950 7.598 ( 0.593 0.726 -0.159) 0.950 8.009 ( 0.765 -0.847 -0.600) 1.290 8.009 ( 0.765 0.847 -0.600) 1.290 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 2.413 0.000 15.598) 15.784 0.630 ( -3.902 0.000 11.118) 11.783 0.729 ( -2.146 0.000 6.142) 6.506 0.929 ( 0.790 0.000 -3.998) 4.076 0.968 ( 1.049 0.000 -2.928) 3.111 1.106 ( -0.964 0.000 6.735) 6.803 1.149 ( 0.229 0.000 -5.417) 5.422 1.152 ( -0.514 0.000 -1.070) 1.188 1.202 ( 6.250 0.000 12.320) 13.815 1.349 ( -5.546 0.000 -0.258) 5.552 1.371 ( 3.236 0.000 -3.168) 4.529 1.382 ( 6.916 0.000 8.214) 10.738 1.468 ( 2.438 0.000 2.936) 3.817 1.471 ( -4.843 0.000 -3.976) 6.266 1.510 ( -1.948 0.000 0.367) 1.982 1.514 ( 1.877 0.000 -2.713) 3.299 1.733 ( 2.061 0.000 0.166) 2.068 1.796 ( 1.374 0.000 -2.363) 2.733 1.822 ( 2.295 0.000 0.316) 2.317 1.922 ( -4.314 0.000 -0.862) 4.399 1.974 ( 0.792 0.000 -0.507) 0.940 2.051 ( 1.166 0.000 1.446) 1.857 2.128 ( -5.687 0.000 -8.517) 10.241 2.165 ( -4.782 0.000 -10.548) 11.581 2.251 ( -0.569 0.000 4.859) 4.892 2.270 ( -1.273 0.000 0.884) 1.549 2.317 ( 1.266 0.000 1.900) 2.283 2.399 ( 1.177 0.000 4.655) 4.801 2.452 ( 2.870 0.000 6.233) 6.862 2.464 ( -0.271 0.000 2.569) 2.583 2.513 ( 4.036 0.000 1.166) 4.201 2.517 ( -0.812 0.000 -2.180) 2.326 2.599 ( 0.384 0.000 0.770) 0.860 2.631 ( -0.964 0.000 -2.283) 2.478 2.676 ( -2.017 0.000 -2.810) 3.459 2.699 ( -1.363 0.000 -0.593) 1.487 2.824 ( -0.078 0.000 -3.424) 3.425 2.828 ( 1.758 0.000 -1.796) 2.513 2.851 ( -2.814 0.000 -4.615) 5.405 2.866 ( 2.189 0.000 -0.634) 2.279 2.906 ( -1.181 0.000 -1.111) 1.622 2.943 ( -3.556 0.000 0.683) 3.621 2.975 ( 1.109 0.000 -0.284) 1.144 3.028 ( -1.495 0.000 2.208) 2.667 3.086 ( 1.525 0.000 -1.251) 1.973 3.118 ( 2.252 0.000 1.605) 2.765 3.141 ( 0.146 0.000 0.317) 0.349 3.155 ( 0.071 0.000 -1.263) 1.265 3.173 ( 0.093 0.000 2.144) 2.146 3.177 ( -1.644 0.000 -0.182) 1.654 3.246 ( -2.355 0.000 -4.193) 4.809 3.248 ( -0.979 0.000 -1.166) 1.522 3.318 ( -1.616 0.000 -1.652) 2.311 3.345 ( 0.226 0.000 1.878) 1.891 3.385 ( -0.537 0.000 -1.822) 1.899 3.392 ( -0.729 0.000 1.813) 1.954 3.472 ( 0.467 0.000 2.711) 2.751 3.489 ( -0.112 0.000 0.928) 0.934 3.526 ( -1.771 0.000 -1.234) 2.158 3.573 ( -1.471 0.000 -2.509) 2.908 3.608 ( -1.961 0.000 -0.273) 1.980 3.641 ( 0.697 0.000 -1.703) 1.840 3.667 ( 3.390 0.000 1.589) 3.744 3.708 ( 3.876 0.000 1.767) 4.260 3.770 ( -2.822 0.000 -2.585) 3.827 3.790 ( -1.502 0.000 -0.984) 1.796 3.811 ( 2.093 0.000 0.594) 2.175 3.824 ( 1.026 0.000 -0.078) 1.029 3.902 ( -0.611 0.000 -0.157) 0.631 3.905 ( -0.780 0.000 -0.955) 1.233 3.947 ( 0.291 0.000 0.219) 0.364 3.950 ( 0.016 0.000 0.103) 0.104 4.197 ( 0.716 0.000 2.152) 2.268 4.217 ( 1.106 0.000 1.135) 1.584 4.466 ( -0.302 0.000 -1.608) 1.636 4.475 ( -1.144 0.000 -1.496) 1.883 4.666 ( -1.242 0.000 1.559) 1.994 4.666 ( -0.697 0.000 1.581) 1.728 4.743 ( 1.652 0.000 -0.261) 1.673 4.743 ( 0.324 0.000 -0.004) 0.324 5.028 ( 0.249 0.000 0.120) 0.276 5.033 ( 0.456 0.000 -0.100) 0.466 5.175 ( -1.463 0.000 -0.523) 1.554 5.193 ( -1.665 0.000 -1.281) 2.100 5.422 ( 0.796 0.000 1.232) 1.467 5.429 ( 1.755 0.000 1.037) 2.038 6.029 ( 1.429 0.000 2.513) 2.891 6.047 ( 3.251 0.000 1.428) 3.550 6.665 ( -1.610 0.000 -1.592) 2.264 6.668 ( -0.499 0.000 -1.650) 1.724 6.698 ( -2.982 0.000 -2.644) 3.986 6.702 ( -2.022 0.000 -2.743) 3.408 6.783 ( 0.660 0.000 0.051) 0.662 6.805 ( 0.442 0.000 0.007) 0.442 6.831 ( -1.755 0.000 -2.410) 2.981 6.847 ( -1.162 0.000 -2.265) 2.546 7.035 ( 2.150 0.000 2.094) 3.001 7.060 ( 0.562 0.000 0.754) 0.940 7.260 ( 2.895 0.000 5.187) 5.940 7.270 ( 1.915 0.000 3.600) 4.077 7.293 ( 0.888 0.000 0.741) 1.156 7.309 ( 1.453 0.000 2.743) 3.104 7.394 ( -1.863 0.000 -1.340) 2.295 7.439 ( -1.489 0.000 -1.615) 2.196 7.622 ( 0.939 0.000 1.392) 1.679 7.641 ( 0.675 0.000 0.474) 0.825 7.993 ( 0.150 0.000 -0.013) 0.151 8.016 ( 0.497 0.000 -1.094) 1.202 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 7.633 0.000 8.340) 11.306 0.768 ( 7.276 0.000 15.849) 17.440 0.849 ( 8.301 0.000 3.988) 9.209 0.924 ( 1.271 0.000 -0.977) 1.603 0.959 ( 2.188 0.000 -3.610) 4.221 0.996 ( -1.901 0.000 -14.705) 14.827 1.122 ( -0.287 0.000 4.999) 5.008 1.128 ( -6.871 0.000 -2.421) 7.285 1.188 ( -1.201 0.000 -2.661) 2.920 1.292 ( -7.994 0.000 -1.249) 8.091 1.464 ( 2.408 0.000 2.773) 3.673 1.475 ( 7.891 0.000 1.421) 8.018 1.493 ( 1.092 0.000 3.621) 3.782 1.531 ( 4.607 0.000 0.924) 4.699 1.640 ( 9.303 0.000 13.844) 16.680 1.701 ( 5.580 0.000 3.717) 6.705 1.746 ( -1.921 0.000 -4.402) 4.803 1.749 ( -7.461 0.000 -10.234) 12.665 1.794 ( -3.314 0.000 -5.617) 6.522 1.816 ( 1.286 0.000 0.031) 1.286 1.919 ( -5.525 0.000 0.798) 5.582 1.980 ( -0.316 0.000 -5.216) 5.226 2.034 ( 3.368 0.000 -2.451) 4.165 2.082 ( -1.274 0.000 2.515) 2.819 2.260 ( -1.044 0.000 1.124) 1.534 2.307 ( 2.699 0.000 3.561) 4.468 2.350 ( 0.682 0.000 1.329) 1.493 2.407 ( -1.934 0.000 2.300) 3.005 2.462 ( -1.605 0.000 -4.895) 5.151 2.477 ( 0.346 0.000 1.552) 1.590 2.581 ( 1.185 0.000 -4.849) 4.991 2.589 ( 4.091 0.000 4.208) 5.869 2.599 ( -3.192 0.000 -1.808) 3.668 2.608 ( 0.069 0.000 1.050) 1.052 2.656 ( 2.811 0.000 4.447) 5.261 2.679 ( -0.911 0.000 0.054) 0.913 2.741 ( -4.663 0.000 -2.100) 5.114 2.815 ( 1.307 0.000 -1.731) 2.168 2.839 ( -2.091 0.000 -3.520) 4.094 2.855 ( 1.491 0.000 0.674) 1.636 2.886 ( -2.826 0.000 -0.785) 2.933 2.921 ( 0.654 0.000 2.714) 2.792 3.003 ( 1.833 0.000 -0.299) 1.857 3.012 ( -0.696 0.000 -0.208) 0.727 3.099 ( 0.081 0.000 0.828) 0.832 3.121 ( -0.734 0.000 -2.569) 2.672 3.145 ( -0.443 0.000 0.590) 0.738 3.147 ( 0.278 0.000 0.196) 0.340 3.189 ( -0.353 0.000 -3.024) 3.045 3.197 ( 0.850 0.000 2.930) 3.051 3.214 ( 1.331 0.000 3.604) 3.842 3.218 ( -0.445 0.000 -1.240) 1.318 3.304 ( 0.091 0.000 1.469) 1.472 3.352 ( 1.001 0.000 -2.310) 2.517 3.387 ( 0.656 0.000 2.478) 2.564 3.403 ( 0.410 0.000 1.268) 1.333 3.484 ( -1.551 0.000 -0.600) 1.663 3.493 ( -1.289 0.000 1.235) 1.785 3.504 ( 0.731 0.000 3.138) 3.222 3.533 ( -0.067 0.000 -1.051) 1.054 3.584 ( -0.940 0.000 0.308) 0.989 3.632 ( -0.823 0.000 -1.126) 1.395 3.674 ( -3.818 0.000 -4.228) 5.697 3.703 ( -3.990 0.000 -3.714) 5.451 3.732 ( 1.481 0.000 1.667) 2.230 3.769 ( 0.906 0.000 1.370) 1.642 3.856 ( 2.041 0.000 -0.068) 2.042 3.858 ( 2.136 0.000 -0.649) 2.232 3.895 ( -0.016 0.000 0.157) 0.158 3.898 ( 0.629 0.000 -0.027) 0.629 3.950 ( 0.040 0.000 -0.202) 0.206 3.951 ( 0.095 0.000 0.172) 0.197 4.219 ( 0.072 0.000 0.603) 0.607 4.232 ( -0.033 0.000 -0.361) 0.362 4.450 ( -0.313 0.000 -0.479) 0.572 4.467 ( 1.103 0.000 0.107) 1.109 4.649 ( -1.491 0.000 1.112) 1.860 4.662 ( -1.111 0.000 1.652) 1.991 4.738 ( -0.789 0.000 -0.546) 0.959 4.759 ( 0.581 0.000 -1.282) 1.407 5.039 ( 0.827 0.000 0.047) 0.829 5.044 ( 0.903 0.000 -0.214) 0.928 5.147 ( -1.759 0.000 1.239) 2.152 5.161 ( -1.313 0.000 0.325) 1.353 5.434 ( 0.250 0.000 -0.467) 0.529 5.454 ( 0.766 0.000 -0.555) 0.946 6.052 ( -0.224 0.000 -0.175) 0.284 6.088 ( 0.890 0.000 -1.859) 2.061 6.635 ( -1.130 0.000 0.259) 1.159 6.641 ( -1.211 0.000 0.280) 1.243 6.644 ( -1.341 0.000 0.679) 1.503 6.671 ( -0.303 0.000 0.379) 0.485 6.784 ( -1.079 0.000 -1.008) 1.477 6.801 ( -0.021 0.000 0.378) 0.379 6.818 ( 0.107 0.000 -0.622) 0.631 6.826 ( 0.880 0.000 0.418) 0.975 7.067 ( 0.309 0.000 -1.047) 1.092 7.078 ( 1.379 0.000 0.262) 1.404 7.287 ( -0.376 0.000 0.036) 0.378 7.294 ( 0.015 0.000 -0.186) 0.186 7.333 ( -2.288 0.000 -1.995) 3.036 7.350 ( 1.223 0.000 3.223) 3.447 7.384 ( 1.828 0.000 3.329) 3.798 7.393 ( -0.946 0.000 -2.475) 2.650 7.636 ( -0.243 0.000 0.135) 0.278 7.644 ( -0.337 0.000 -0.609) 0.696 7.989 ( -0.502 0.000 -0.074) 0.508 8.012 ( -0.025 0.000 -1.170) 1.170 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -10.395 0.000 -4.330) 11.261 0.882 ( 0.887 0.000 -12.574) 12.605 0.929 ( 4.198 0.000 -0.179) 4.202 0.956 ( 0.408 0.000 -0.690) 0.802 0.998 ( 6.343 0.000 4.162) 7.586 1.038 ( 8.655 0.000 13.753) 16.250 1.098 ( 8.209 0.000 0.304) 8.215 1.146 ( -4.249 0.000 5.904) 7.274 1.195 ( -0.471 0.000 6.168) 6.186 1.247 ( 3.543 0.000 -0.363) 3.562 1.404 ( -9.485 0.000 -16.042) 18.636 1.420 ( -9.618 0.000 -13.760) 16.788 1.543 ( 0.328 0.000 3.203) 3.220 1.584 ( 1.525 0.000 2.557) 2.977 1.614 ( 5.878 0.000 -0.085) 5.878 1.626 ( 4.534 0.000 -0.365) 4.548 1.683 ( -3.126 0.000 -2.898) 4.263 1.692 ( -2.568 0.000 -1.552) 3.000 1.836 ( -4.080 0.000 4.114) 5.794 1.953 ( 4.855 0.000 -2.795) 5.603 1.971 ( 5.194 0.000 -1.750) 5.481 1.998 ( 1.544 0.000 6.845) 7.017 2.118 ( 5.479 0.000 5.875) 8.033 2.150 ( 5.972 0.000 6.509) 8.833 2.237 ( -1.854 0.000 -0.380) 1.893 2.316 ( -3.377 0.000 -2.467) 4.182 2.365 ( -2.921 0.000 -1.545) 3.304 2.379 ( -1.833 0.000 -3.007) 3.522 2.401 ( 1.852 0.000 1.509) 2.389 2.493 ( 0.513 0.000 0.442) 0.677 2.534 ( -1.960 0.000 -5.959) 6.273 2.535 ( -1.957 0.000 0.577) 2.041 2.579 ( 1.745 0.000 -1.717) 2.448 2.648 ( -2.829 0.000 1.539) 3.221 2.678 ( 0.715 0.000 0.255) 0.759 2.728 ( 1.746 0.000 3.090) 3.549 2.744 ( 2.995 0.000 6.919) 7.539 2.779 ( -1.470 0.000 -2.799) 3.161 2.829 ( 0.944 0.000 -0.981) 1.361 2.829 ( -1.808 0.000 -1.736) 2.506 2.892 ( 0.898 0.000 2.431) 2.591 2.926 ( -1.771 0.000 2.044) 2.705 3.029 ( 1.429 0.000 1.891) 2.371 3.035 ( 1.353 0.000 1.209) 1.815 3.098 ( 0.238 0.000 -1.016) 1.044 3.101 ( 0.621 0.000 -2.204) 2.290 3.130 ( -0.951 0.000 -1.141) 1.485 3.136 ( -0.947 0.000 -0.924) 1.323 3.195 ( 0.869 0.000 1.840) 2.035 3.199 ( 0.069 0.000 1.960) 1.962 3.252 ( 0.281 0.000 4.008) 4.018 3.265 ( 0.794 0.000 3.843) 3.924 3.327 ( 0.346 0.000 1.757) 1.791 3.368 ( 1.831 0.000 -0.089) 1.833 3.415 ( 0.371 0.000 -0.391) 0.539 3.428 ( 1.710 0.000 1.054) 2.009 3.463 ( -1.731 0.000 -0.127) 1.735 3.468 ( -0.269 0.000 0.807) 0.850 3.536 ( -0.233 0.000 1.329) 1.349 3.547 ( -1.387 0.000 -1.546) 2.077 3.564 ( -0.654 0.000 -1.466) 1.606 3.565 ( -1.088 0.000 -0.801) 1.351 3.603 ( -0.170 0.000 -0.760) 0.778 3.645 ( -0.365 0.000 -1.758) 1.796 3.745 ( -0.595 0.000 -0.451) 0.747 3.762 ( -1.354 0.000 -1.503) 2.023 3.877 ( 0.551 0.000 -0.287) 0.622 3.890 ( 1.543 0.000 -0.940) 1.807 3.903 ( 0.490 0.000 0.962) 1.080 3.925 ( 1.584 0.000 0.218) 1.599 3.946 ( -0.157 0.000 -0.366) 0.398 3.951 ( -0.243 0.000 0.008) 0.243 4.203 ( -1.263 0.000 -0.953) 1.582 4.215 ( -0.858 0.000 -1.041) 1.349 4.461 ( 0.937 0.000 1.264) 1.574 4.500 ( 1.644 0.000 0.988) 1.918 4.632 ( -1.125 0.000 0.912) 1.448 4.653 ( -1.055 0.000 1.363) 1.724 4.711 ( -1.044 0.000 -1.440) 1.779 4.745 ( -0.295 0.000 -2.742) 2.757 5.052 ( 0.413 0.000 -0.251) 0.484 5.056 ( 0.234 0.000 -0.147) 0.277 5.137 ( -0.877 0.000 3.261) 3.377 5.158 ( 0.197 0.000 1.994) 2.004 5.425 ( -0.116 0.000 -2.143) 2.146 5.448 ( -0.294 0.000 -2.129) 2.149 6.021 ( -1.691 0.000 -2.494) 3.013 6.053 ( -1.630 0.000 -4.226) 4.530 6.635 ( 0.259 0.000 2.104) 2.119 6.655 ( 1.049 0.000 3.506) 3.659 6.661 ( 1.134 0.000 3.595) 3.769 6.682 ( 0.353 0.000 1.828) 1.862 6.773 ( 0.294 0.000 0.298) 0.419 6.779 ( -1.011 0.000 -0.573) 1.163 6.850 ( 1.093 0.000 1.424) 1.795 6.851 ( 1.701 0.000 2.183) 2.767 7.055 ( -0.277 0.000 -2.377) 2.393 7.085 ( -0.145 0.000 -1.273) 1.281 7.260 ( -2.828 0.000 -4.136) 5.010 7.273 ( -0.755 0.000 -0.572) 0.947 7.275 ( -1.680 0.000 -2.544) 3.048 7.304 ( -2.456 0.000 -2.921) 3.816 7.427 ( 1.800 0.000 2.101) 2.766 7.433 ( 0.821 0.000 2.757) 2.876 7.617 ( -1.319 0.000 -1.011) 1.662 7.623 ( -0.828 0.000 -1.681) 1.874 7.977 ( -0.588 0.000 -0.086) 0.594 8.001 ( -0.013 0.000 -1.260) 1.260 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -11.926 0.000 1.022) 11.969 0.837 ( 2.998 0.000 -8.723) 9.224 0.875 ( -8.319 0.000 -7.560) 11.241 0.994 ( 2.888 0.000 -0.532) 2.937 1.038 ( -8.712 0.000 -15.600) 17.868 1.039 ( -0.397 0.000 -1.131) 1.198 1.138 ( -0.999 0.000 -0.265) 1.034 1.148 ( -5.397 0.000 -3.299) 6.325 1.255 ( 7.202 0.000 5.693) 9.180 1.281 ( 0.975 0.000 12.781) 12.818 1.297 ( 6.312 0.000 6.656) 9.173 1.435 ( 2.179 0.000 6.996) 7.327 1.558 ( -0.922 0.000 -1.261) 1.562 1.589 ( -4.314 0.000 -2.974) 5.240 1.596 ( -1.180 0.000 5.588) 5.711 1.648 ( -0.941 0.000 3.811) 3.926 1.725 ( 1.468 0.000 -2.523) 2.919 1.732 ( 6.401 0.000 0.094) 6.402 1.804 ( 1.710 0.000 3.342) 3.754 1.945 ( -2.135 0.000 -5.264) 5.681 1.965 ( 0.564 0.000 -7.471) 7.492 2.019 ( -1.012 0.000 -2.285) 2.499 2.187 ( -2.514 0.000 0.801) 2.639 2.190 ( -5.223 0.000 -5.611) 7.666 2.258 ( 1.258 0.000 0.075) 1.260 2.270 ( 3.666 0.000 0.551) 3.708 2.299 ( -2.142 0.000 -0.160) 2.148 2.325 ( -1.623 0.000 -1.484) 2.200 2.436 ( -1.132 0.000 2.736) 2.961 2.479 ( -1.432 0.000 -0.346) 1.473 2.534 ( 5.067 0.000 -0.347) 5.079 2.575 ( 3.465 0.000 2.558) 4.307 2.607 ( 2.127 0.000 -2.257) 3.102 2.612 ( -1.973 0.000 1.207) 2.313 2.689 ( -0.422 0.000 2.139) 2.181 2.755 ( 1.022 0.000 -1.927) 2.181 2.776 ( -0.625 0.000 5.608) 5.643 2.797 ( 1.316 0.000 -0.900) 1.595 2.835 ( 1.128 0.000 -0.910) 1.450 2.848 ( 0.840 0.000 4.195) 4.278 2.911 ( -0.522 0.000 0.947) 1.082 2.931 ( 2.102 0.000 2.077) 2.955 3.064 ( -0.041 0.000 1.211) 1.211 3.065 ( 0.091 0.000 2.979) 2.981 3.096 ( -0.047 0.000 -0.077) 0.090 3.099 ( 0.502 0.000 -0.569) 0.759 3.113 ( -0.768 0.000 -0.493) 0.913 3.124 ( 1.338 0.000 0.075) 1.340 3.220 ( -1.161 0.000 3.662) 3.842 3.220 ( -0.542 0.000 2.446) 2.506 3.271 ( -0.490 0.000 2.098) 2.154 3.285 ( -0.559 0.000 0.685) 0.884 3.320 ( -1.408 0.000 0.432) 1.473 3.391 ( -2.327 0.000 -2.067) 3.112 3.407 ( -0.179 0.000 -1.140) 1.154 3.413 ( 1.730 0.000 0.393) 1.774 3.466 ( 1.048 0.000 1.085) 1.509 3.484 ( 0.824 0.000 1.709) 1.897 3.528 ( 2.487 0.000 -1.375) 2.841 3.537 ( 2.258 0.000 -1.380) 2.646 3.579 ( 1.065 0.000 1.816) 2.105 3.596 ( 1.846 0.000 0.062) 1.847 3.613 ( -0.094 0.000 -0.813) 0.818 3.632 ( -0.109 0.000 -0.675) 0.683 3.714 ( -1.110 0.000 -2.995) 3.194 3.714 ( -1.142 0.000 -2.554) 2.798 3.874 ( -0.255 0.000 -1.130) 1.159 3.884 ( -0.683 0.000 -1.838) 1.961 3.924 ( 0.326 0.000 0.880) 0.939 3.934 ( -0.308 0.000 0.057) 0.313 3.946 ( 0.031 0.000 0.011) 0.033 3.953 ( 0.597 0.000 -0.047) 0.599 4.179 ( -0.887 0.000 0.397) 0.972 4.197 ( -0.543 0.000 -0.242) 0.594 4.491 ( 0.971 0.000 1.510) 1.796 4.530 ( 0.880 0.000 0.088) 0.885 4.620 ( -0.966 0.000 1.336) 1.649 4.647 ( -0.468 0.000 0.998) 1.102 4.694 ( 0.653 0.000 -1.383) 1.530 4.717 ( -0.061 0.000 -3.240) 3.241 5.047 ( -0.808 0.000 0.360) 0.884 5.050 ( -0.763 0.000 0.222) 0.794 5.163 ( 0.787 0.000 3.191) 3.286 5.192 ( 1.404 0.000 2.479) 2.849 5.401 ( -0.351 0.000 -2.947) 2.968 5.416 ( -0.783 0.000 -3.184) 3.279 5.973 ( -1.262 0.000 -1.932) 2.307 5.992 ( -1.455 0.000 -3.287) 3.594 6.668 ( 1.358 0.000 2.076) 2.481 6.695 ( 0.536 0.000 0.882) 1.032 6.716 ( 1.559 0.000 2.661) 3.084 6.724 ( 1.771 0.000 3.337) 3.778 6.769 ( 0.411 0.000 1.218) 1.285 6.800 ( 1.425 0.000 2.057) 2.503 6.889 ( 1.467 0.000 2.258) 2.693 6.899 ( 1.354 0.000 2.111) 2.508 7.029 ( -0.225 0.000 -2.123) 2.135 7.059 ( -0.994 0.000 -1.973) 2.210 7.173 ( -2.978 0.000 -4.346) 5.268 7.178 ( -4.443 0.000 -4.896) 6.611 7.257 ( -0.448 0.000 -0.509) 0.678 7.269 ( -0.542 0.000 -1.230) 1.344 7.455 ( -0.226 0.000 1.827) 1.841 7.464 ( 0.806 0.000 1.375) 1.594 7.585 ( -1.049 0.000 -0.997) 1.447 7.598 ( -0.260 0.000 -1.613) 1.634 7.970 ( -0.093 0.000 -0.091) 0.130 7.996 ( 0.505 0.000 -1.273) 1.370 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( -7.892 0.000 7.909) 11.173 0.666 ( -8.815 0.000 6.139) 10.742 0.854 ( -2.492 0.000 -1.111) 2.729 0.864 ( 4.689 0.000 -4.511) 6.506 1.014 ( -7.358 0.000 3.573) 8.179 1.023 ( -6.157 0.000 2.113) 6.510 1.056 ( -0.054 0.000 -1.732) 1.733 1.078 ( 0.474 0.000 -1.789) 1.851 1.343 ( -0.470 0.000 -4.201) 4.228 1.389 ( 0.624 0.000 7.897) 7.922 1.396 ( -6.963 0.000 4.083) 8.072 1.426 ( 6.690 0.000 3.114) 7.379 1.469 ( -5.809 0.000 -2.941) 6.511 1.597 ( 1.801 0.000 3.379) 3.829 1.631 ( -0.755 0.000 -2.545) 2.654 1.639 ( -3.228 0.000 -5.962) 6.780 1.707 ( 4.851 0.000 1.634) 5.119 1.817 ( -1.073 0.000 -4.482) 4.608 1.872 ( 2.803 0.000 0.934) 2.955 1.891 ( -0.203 0.000 -4.148) 4.153 1.908 ( -5.702 0.000 -8.759) 10.451 1.964 ( 6.743 0.000 6.901) 9.649 2.136 ( -0.473 0.000 5.548) 5.568 2.138 ( -4.042 0.000 3.091) 5.088 2.247 ( -0.413 0.000 -0.548) 0.686 2.274 ( -1.240 0.000 -1.575) 2.005 2.295 ( -0.090 0.000 0.901) 0.905 2.328 ( 1.932 0.000 -0.603) 2.024 2.401 ( -3.506 0.000 2.568) 4.346 2.464 ( 0.581 0.000 -1.334) 1.455 2.578 ( -0.902 0.000 0.364) 0.973 2.585 ( -0.844 0.000 -4.060) 4.147 2.606 ( 0.450 0.000 -1.260) 1.338 2.659 ( 2.769 0.000 0.552) 2.824 2.739 ( 4.549 0.000 -0.019) 4.549 2.748 ( -1.735 0.000 -0.603) 1.837 2.786 ( 1.785 0.000 -1.267) 2.189 2.832 ( 1.654 0.000 -2.342) 2.867 2.849 ( -0.378 0.000 0.389) 0.542 2.877 ( 1.380 0.000 1.890) 2.340 2.918 ( 0.044 0.000 0.670) 0.671 2.970 ( -0.664 0.000 1.334) 1.490 3.050 ( -0.377 0.000 -0.175) 0.416 3.059 ( -0.900 0.000 -1.240) 1.532 3.091 ( -1.596 0.000 -0.399) 1.645 3.094 ( -1.201 0.000 -0.029) 1.201 3.135 ( 0.964 0.000 5.363) 5.449 3.163 ( 0.557 0.000 -0.704) 0.898 3.186 ( -2.818 0.000 -0.747) 2.915 3.207 ( -0.383 0.000 2.682) 2.709 3.281 ( -0.498 0.000 1.508) 1.588 3.285 ( 0.477 0.000 0.987) 1.096 3.326 ( 1.220 0.000 3.065) 3.299 3.358 ( -0.834 0.000 -0.211) 0.860 3.397 ( -0.710 0.000 0.106) 0.718 3.441 ( 0.885 0.000 -1.191) 1.484 3.497 ( 1.242 0.000 0.542) 1.355 3.505 ( -0.125 0.000 -0.758) 0.768 3.547 ( 0.919 0.000 -3.927) 4.033 3.563 ( -1.847 0.000 -2.221) 2.889 3.572 ( 2.361 0.000 -1.858) 3.005 3.622 ( 1.234 0.000 -0.416) 1.302 3.640 ( 3.702 0.000 2.590) 4.518 3.641 ( 1.544 0.000 -0.999) 1.839 3.689 ( 0.839 0.000 -0.613) 1.039 3.694 ( 0.061 0.000 -2.394) 2.394 3.855 ( -0.854 0.000 -0.882) 1.228 3.859 ( -0.442 0.000 -0.486) 0.657 3.929 ( -0.124 0.000 0.843) 0.852 3.930 ( -0.421 0.000 0.493) 0.649 3.949 ( -0.018 0.000 -0.271) 0.272 3.954 ( -0.122 0.000 -0.563) 0.576 4.174 ( -0.518 0.000 1.213) 1.319 4.190 ( -0.155 0.000 0.062) 0.167 4.511 ( 0.097 0.000 0.641) 0.648 4.525 ( -0.622 0.000 -1.754) 1.861 4.630 ( 0.287 0.000 2.807) 2.821 4.652 ( 0.111 0.000 1.168) 1.173 4.702 ( 0.879 0.000 -2.574) 2.720 4.711 ( 1.878 0.000 -1.143) 2.199 5.035 ( -0.863 0.000 0.670) 1.093 5.037 ( -0.771 0.000 0.371) 0.855 5.198 ( 0.723 0.000 1.410) 1.585 5.232 ( 0.954 0.000 1.140) 1.487 5.378 ( 0.003 0.000 -1.289) 1.289 5.384 ( -0.213 0.000 -2.092) 2.103 5.955 ( 0.158 0.000 0.202) 0.256 5.960 ( -0.297 0.000 -0.564) 0.637 6.699 ( 0.043 0.000 -0.764) 0.765 6.704 ( 1.057 0.000 0.672) 1.253 6.742 ( 0.351 0.000 -0.356) 0.500 6.752 ( 1.104 0.000 0.307) 1.146 6.824 ( 1.881 0.000 2.077) 2.802 6.825 ( -0.022 0.000 -0.875) 0.875 6.908 ( -0.716 0.000 -0.666) 0.978 6.919 ( 0.292 0.000 0.132) 0.321 7.023 ( -2.459 0.000 -3.549) 4.318 7.034 ( 0.834 0.000 0.561) 1.006 7.095 ( -0.571 0.000 2.252) 2.324 7.110 ( -0.782 0.000 0.757) 1.089 7.255 ( 0.453 0.000 0.302) 0.544 7.262 ( 0.345 0.000 -0.337) 0.482 7.454 ( -1.081 0.000 0.958) 1.444 7.477 ( -0.181 0.000 0.574) 0.602 7.572 ( 0.227 0.000 0.120) 0.256 7.596 ( 0.852 0.000 -0.473) 0.974 7.973 ( 0.505 0.000 -0.062) 0.509 8.001 ( 0.977 0.000 -1.208) 1.554 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -2.873 0.000 13.324) 13.630 0.671 ( -6.230 0.000 16.702) 17.826 0.840 ( -12.439 0.000 4.964) 13.393 0.894 ( -0.555 0.000 11.868) 11.881 0.915 ( 3.375 0.000 6.645) 7.453 0.937 ( -0.224 0.000 2.031) 2.043 1.088 ( 3.282 0.000 -1.222) 3.502 1.124 ( 3.711 0.000 0.332) 3.726 1.277 ( -3.358 0.000 1.004) 3.505 1.323 ( -4.781 0.000 -8.453) 9.711 1.357 ( 1.019 0.000 0.581) 1.173 1.387 ( -1.638 0.000 -3.039) 3.453 1.515 ( -3.629 0.000 -5.467) 6.562 1.540 ( 3.400 0.000 -0.576) 3.448 1.574 ( -3.552 0.000 -4.079) 5.409 1.592 ( -2.819 0.000 -5.807) 6.455 1.748 ( -5.359 0.000 -2.095) 5.754 1.764 ( 3.265 0.000 -1.546) 3.613 1.779 ( 2.287 0.000 -2.180) 3.159 1.915 ( 2.505 0.000 1.048) 2.715 1.978 ( 4.486 0.000 2.861) 5.320 2.026 ( -4.815 0.000 2.723) 5.531 2.194 ( 2.439 0.000 5.080) 5.635 2.199 ( 1.307 0.000 6.355) 6.488 2.247 ( -1.473 0.000 1.054) 1.812 2.255 ( 3.088 0.000 4.043) 5.088 2.296 ( -0.378 0.000 0.527) 0.648 2.321 ( -1.718 0.000 -0.289) 1.742 2.395 ( 0.431 0.000 2.431) 2.469 2.472 ( 1.188 0.000 -2.348) 2.632 2.521 ( -2.445 0.000 -3.403) 4.190 2.556 ( -1.284 0.000 -1.261) 1.800 2.598 ( -0.050 0.000 -1.049) 1.050 2.663 ( -1.060 0.000 -1.256) 1.643 2.730 ( -1.020 0.000 -2.157) 2.386 2.756 ( -2.594 0.000 -3.806) 4.606 2.805 ( 2.188 0.000 -0.410) 2.226 2.812 ( 2.251 0.000 -2.833) 3.618 2.874 ( 1.702 0.000 -2.320) 2.878 2.879 ( -0.627 0.000 -3.270) 3.329 2.921 ( 0.373 0.000 -0.706) 0.799 2.965 ( 0.271 0.000 0.685) 0.736 3.028 ( -4.661 0.000 -0.546) 4.693 3.044 ( -0.858 0.000 0.141) 0.869 3.065 ( -0.379 0.000 1.774) 1.814 3.070 ( 1.216 0.000 1.128) 1.658 3.140 ( -0.266 0.000 -2.145) 2.162 3.156 ( 0.802 0.000 -2.060) 2.211 3.175 ( -0.798 0.000 2.658) 2.775 3.212 ( -1.554 0.000 0.783) 1.740 3.271 ( -1.074 0.000 0.179) 1.089 3.305 ( -0.396 0.000 0.632) 0.746 3.331 ( -1.373 0.000 0.348) 1.416 3.363 ( -1.239 0.000 0.070) 1.241 3.396 ( -0.386 0.000 2.816) 2.843 3.420 ( -0.743 0.000 -3.656) 3.730 3.456 ( -0.902 0.000 -1.668) 1.897 3.495 ( -0.668 0.000 -0.595) 0.895 3.553 ( -0.487 0.000 0.030) 0.488 3.568 ( 3.387 0.000 -0.826) 3.487 3.618 ( 4.245 0.000 -0.371) 4.261 3.632 ( 0.136 0.000 -1.343) 1.350 3.640 ( 0.838 0.000 -2.384) 2.527 3.658 ( -1.617 0.000 -2.654) 3.107 3.734 ( 3.762 0.000 2.264) 4.391 3.747 ( 3.291 0.000 1.944) 3.822 3.840 ( -0.837 0.000 0.175) 0.855 3.841 ( -1.705 0.000 -0.666) 1.830 3.918 ( -0.938 0.000 -0.284) 0.980 3.931 ( -0.736 0.000 -0.453) 0.865 3.939 ( 0.025 0.000 -0.140) 0.142 3.949 ( -0.079 0.000 0.086) 0.117 4.177 ( -0.168 0.000 1.598) 1.607 4.193 ( 0.445 0.000 0.535) 0.696 4.494 ( -0.907 0.000 -2.189) 2.370 4.503 ( -0.833 0.000 -0.748) 1.120 4.660 ( 0.240 0.000 2.751) 2.761 4.663 ( -0.132 0.000 1.429) 1.435 4.713 ( 1.778 0.000 -0.985) 2.033 4.733 ( 1.278 0.000 -1.099) 1.685 5.027 ( -0.358 0.000 0.376) 0.519 5.030 ( -0.192 0.000 0.187) 0.268 5.201 ( -0.599 0.000 -0.787) 0.989 5.230 ( -0.865 0.000 -1.483) 1.717 5.389 ( 1.196 0.000 0.986) 1.550 5.391 ( 1.021 0.000 1.677) 1.963 5.979 ( 1.809 0.000 2.230) 2.871 5.981 ( 1.408 0.000 2.328) 2.721 6.688 ( -0.211 0.000 -1.793) 1.805 6.704 ( -0.826 0.000 -1.402) 1.627 6.746 ( 0.260 0.000 -1.275) 1.301 6.754 ( -0.685 0.000 -2.309) 2.409 6.802 ( -0.045 0.000 -1.811) 1.812 6.805 ( -1.995 0.000 -3.306) 3.862 6.890 ( -2.059 0.000 -2.648) 3.354 6.891 ( -1.304 0.000 -2.567) 2.879 6.982 ( 0.730 0.000 2.487) 2.592 7.043 ( 0.121 0.000 1.445) 1.450 7.161 ( 2.852 0.000 5.779) 6.444 7.176 ( 3.056 0.000 6.291) 6.993 7.274 ( 0.813 0.000 0.382) 0.898 7.276 ( 1.184 0.000 1.006) 1.554 7.432 ( -1.627 0.000 -0.062) 1.628 7.468 ( -0.892 0.000 -0.326) 0.949 7.592 ( 1.081 0.000 1.256) 1.657 7.618 ( 1.278 0.000 0.528) 1.383 7.985 ( 0.662 0.000 -0.000) 0.662 8.011 ( 0.973 0.000 -1.122) 1.485 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 1.084 2.141 13.007) 13.226 0.657 ( -2.903 2.440 9.899) 10.601 0.711 ( -2.077 -1.780 6.469) 7.024 0.846 ( 0.744 -6.147 1.191) 6.306 1.014 ( 0.390 2.847 -6.517) 7.123 1.111 ( -1.482 -0.285 1.908) 2.433 1.125 ( -1.808 -1.162 -6.122) 6.489 1.150 ( -0.112 -0.824 -2.637) 2.765 1.239 ( 8.542 3.656 18.135) 20.376 1.356 ( 1.061 -0.293 7.664) 7.742 1.375 ( 0.076 0.596 -0.388) 0.715 1.391 ( 4.353 1.308 0.415) 4.564 1.448 ( -1.788 -1.801 -0.030) 2.539 1.461 ( -2.205 -0.995 -2.745) 3.659 1.510 ( 0.563 -0.056 -0.485) 0.745 1.513 ( 0.335 -0.229 -2.364) 2.399 1.741 ( 2.352 0.774 -0.199) 2.484 1.778 ( 1.641 -1.065 -1.039) 2.215 1.839 ( 2.053 1.145 -1.313) 2.692 1.918 ( 2.087 -3.116 -1.552) 4.059 1.964 ( -5.066 2.897 0.997) 5.920 2.058 ( -1.489 -0.772 0.119) 1.681 2.155 ( -4.900 2.296 -6.789) 8.682 2.186 ( -4.316 1.648 -7.280) 8.622 2.258 ( -0.869 0.818 3.536) 3.732 2.273 ( -0.418 0.389 -0.013) 0.572 2.319 ( 1.327 0.417 0.851) 1.631 2.391 ( 2.293 -0.908 4.455) 5.092 2.438 ( 0.802 -1.059 3.453) 3.700 2.461 ( 1.143 -1.910 -0.474) 2.276 2.487 ( 2.035 -0.029 4.046) 4.529 2.520 ( 0.038 -0.534 1.470) 1.564 2.608 ( 0.566 0.694 -0.015) 0.896 2.628 ( -0.706 -0.340 -2.282) 2.413 2.674 ( -1.477 0.002 -2.403) 2.820 2.695 ( -1.470 -0.433 -1.274) 1.992 2.805 ( 0.158 -1.195 -2.677) 2.936 2.811 ( 2.102 -1.361 -1.212) 2.782 2.856 ( -2.207 0.576 -4.943) 5.444 2.876 ( 0.956 0.368 -2.911) 3.086 2.907 ( -1.113 0.276 -0.222) 1.168 2.938 ( -2.318 -0.766 -0.352) 2.467 2.989 ( -0.060 1.365 1.078) 1.740 3.025 ( -1.512 -0.330 1.996) 2.526 3.094 ( 1.584 0.744 -0.419) 1.800 3.119 ( 2.032 -0.197 1.034) 2.288 3.141 ( 0.501 0.410 0.218) 0.683 3.160 ( 0.482 0.145 -0.116) 0.516 3.172 ( -0.501 0.117 1.231) 1.335 3.180 ( -1.456 0.091 0.637) 1.592 3.243 ( -1.300 -0.199 -2.239) 2.597 3.247 ( -1.849 -0.082 -3.100) 3.611 3.320 ( -1.348 0.403 -2.328) 2.720 3.350 ( -0.108 -0.053 -1.127) 1.133 3.378 ( -0.777 -0.061 1.296) 1.513 3.394 ( -0.515 -0.072 1.555) 1.640 3.471 ( 0.343 -0.005 2.506) 2.529 3.483 ( -0.200 -0.503 1.403) 1.504 3.534 ( -1.901 0.804 -1.512) 2.558 3.567 ( -1.784 -0.597 -2.326) 2.992 3.612 ( -1.225 0.417 -0.505) 1.389 3.637 ( 0.402 -0.473 -1.581) 1.699 3.672 ( 3.577 0.615 1.633) 3.979 3.703 ( 3.905 -0.539 1.749) 4.312 3.772 ( -2.479 0.186 -2.321) 3.401 3.787 ( -1.523 -0.379 -1.158) 1.950 3.813 ( 1.835 0.178 0.461) 1.901 3.822 ( 1.024 -0.178 -0.110) 1.046 3.903 ( -0.661 0.095 -0.312) 0.737 3.905 ( -0.764 0.011 -0.854) 1.146 3.948 ( 0.272 0.099 0.214) 0.360 3.950 ( 0.090 0.007 0.146) 0.171 4.199 ( 0.791 0.277 1.976) 2.146 4.213 ( 1.055 -0.310 1.263) 1.675 4.474 ( -0.522 0.660 -1.604) 1.812 4.480 ( -1.060 0.438 -1.566) 1.942 4.646 ( -0.426 -0.494 1.395) 1.540 4.678 ( -0.645 -0.852 -0.191) 1.086 4.730 ( 0.695 0.686 1.555) 1.836 4.760 ( 0.585 0.290 0.043) 0.654 5.029 ( 0.276 0.075 0.073) 0.295 5.032 ( 0.421 -0.057 -0.081) 0.433 5.176 ( -1.502 0.184 -0.642) 1.644 5.190 ( -1.637 -0.351 -1.192) 2.056 5.423 ( 0.932 0.068 1.164) 1.492 5.427 ( 1.609 -0.128 1.038) 1.918 6.030 ( 1.585 0.058 2.477) 2.942 6.041 ( 2.809 -0.500 1.834) 3.391 6.666 ( -1.447 0.058 -1.623) 2.175 6.668 ( -0.688 -0.020 -1.660) 1.797 6.699 ( -2.826 0.125 -2.667) 3.888 6.702 ( -2.127 -0.013 -2.717) 3.450 6.787 ( 0.650 0.352 0.061) 0.742 6.802 ( 0.504 -0.284 0.033) 0.579 6.834 ( -1.716 0.284 -2.403) 2.966 6.845 ( -1.288 -0.197 -2.297) 2.641 7.039 ( 1.907 0.373 1.867) 2.695 7.056 ( 0.778 -0.361 0.932) 1.267 7.262 ( 2.631 0.161 4.890) 5.555 7.269 ( 2.028 -0.107 3.835) 4.340 7.294 ( 1.033 0.150 1.079) 1.501 7.306 ( 1.464 -0.338 2.573) 2.980 7.401 ( -1.810 0.637 -1.406) 2.378 7.432 ( -1.544 -0.665 -1.624) 2.338 7.625 ( 0.865 0.268 1.255) 1.548 7.638 ( 0.692 -0.284 0.598) 0.957 7.996 ( 0.205 0.331 -0.162) 0.422 8.013 ( 0.452 -0.359 -0.925) 1.090 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 7.278 -0.054 10.978) 13.171 0.791 ( 7.593 1.335 9.769) 12.445 0.823 ( 6.516 -1.989 5.573) 8.802 0.898 ( 4.068 -2.407 3.596) 5.939 0.968 ( 1.324 0.471 -6.880) 7.022 0.984 ( -1.169 -0.853 -13.537) 13.614 1.132 ( 0.255 0.947 4.210) 4.323 1.143 ( -4.938 1.196 -0.713) 5.131 1.189 ( -3.290 0.292 -3.029) 4.482 1.270 ( -8.678 -2.267 -2.004) 9.190 1.462 ( 2.083 0.136 3.997) 4.509 1.478 ( 5.183 -0.015 1.483) 5.391 1.504 ( 2.882 0.902 2.917) 4.199 1.526 ( 4.638 -0.338 -0.337) 4.663 1.654 ( 8.551 1.114 11.482) 14.359 1.690 ( 5.641 -1.004 4.069) 7.027 1.755 ( -3.135 0.651 -6.909) 7.615 1.774 ( -7.934 1.828 -13.549) 15.807 1.787 ( -0.506 -0.147 -0.472) 0.707 1.819 ( 1.393 0.093 0.968) 1.699 1.902 ( -3.353 -0.529 0.433) 3.422 1.964 ( 0.038 -2.107 -3.340) 3.949 2.058 ( 0.527 3.215 0.459) 3.290 2.121 ( -1.803 1.955 1.732) 3.173 2.267 ( -0.575 0.830 0.510) 1.132 2.309 ( 2.431 -0.151 4.566) 5.175 2.346 ( 1.189 0.290 -1.402) 1.861 2.402 ( -1.836 -0.221 1.564) 2.422 2.440 ( -1.702 -2.004 -3.594) 4.453 2.456 ( 0.905 -2.188 0.855) 2.517 2.573 ( 0.355 -0.183 -1.644) 1.692 2.586 ( 1.813 -0.414 0.835) 2.038 2.607 ( -2.313 0.784 -0.963) 2.626 2.622 ( 2.072 0.855 2.673) 3.488 2.652 ( 1.954 -0.402 3.055) 3.649 2.668 ( -0.429 -0.990 -0.116) 1.085 2.755 ( -3.927 1.414 -3.003) 5.142 2.814 ( 1.557 0.004 -1.204) 1.968 2.822 ( -2.132 -1.451 -3.464) 4.318 2.845 ( 1.733 -0.991 0.162) 2.003 2.893 ( -2.257 0.558 -0.299) 2.344 2.917 ( -0.100 -0.511 1.870) 1.941 3.007 ( 1.142 0.341 0.099) 1.196 3.014 ( -0.577 0.096 0.445) 0.735 3.104 ( -0.147 0.538 0.573) 0.800 3.119 ( -0.719 -0.117 -1.595) 1.753 3.149 ( -0.509 0.435 0.104) 0.677 3.156 ( -0.081 0.544 -0.146) 0.569 3.193 ( 0.072 0.432 -1.841) 1.892 3.201 ( 0.582 0.385 1.971) 2.091 3.210 ( 0.926 -0.313 2.530) 2.712 3.219 ( 0.384 -0.090 0.082) 0.403 3.302 ( 0.249 0.049 0.493) 0.555 3.339 ( 0.810 -1.222 -2.297) 2.725 3.394 ( 0.721 0.600 2.407) 2.584 3.407 ( 0.435 0.209 1.522) 1.597 3.488 ( -1.735 0.376 -0.474) 1.837 3.492 ( -0.986 -0.079 1.613) 1.893 3.501 ( 0.610 -0.175 2.793) 2.864 3.524 ( -0.383 -0.832 -0.558) 1.072 3.593 ( -0.741 0.829 -0.211) 1.132 3.626 ( -0.818 -0.613 -1.047) 1.463 3.680 ( -3.839 0.501 -4.203) 5.714 3.700 ( -4.005 -0.341 -3.931) 5.622 3.737 ( 1.499 0.559 1.664) 2.308 3.764 ( 1.046 -0.496 1.388) 1.807 3.855 ( 2.052 -0.036 -0.157) 2.058 3.858 ( 2.197 -0.058 -0.378) 2.230 3.895 ( 0.009 0.024 0.066) 0.070 3.897 ( 0.484 -0.066 -0.074) 0.494 3.951 ( 0.059 0.106 -0.141) 0.186 3.952 ( 0.097 0.072 0.118) 0.169 4.221 ( 0.033 0.149 0.444) 0.470 4.230 ( -0.053 -0.236 -0.239) 0.340 4.458 ( -0.139 0.681 -0.366) 0.785 4.470 ( 0.838 0.213 0.047) 0.866 4.643 ( -0.803 -0.155 0.930) 1.238 4.663 ( -1.006 -0.350 0.653) 1.250 4.738 ( -0.653 0.356 0.029) 0.744 4.761 ( -0.294 -0.092 -0.764) 0.823 5.040 ( 0.843 0.081 0.003) 0.846 5.044 ( 0.895 -0.082 -0.186) 0.918 5.147 ( -1.700 0.101 1.107) 2.031 5.157 ( -1.384 -0.291 0.459) 1.487 5.437 ( 0.333 0.252 -0.501) 0.652 5.451 ( 0.699 -0.339 -0.559) 0.957 6.055 ( -0.064 0.337 -0.283) 0.445 6.080 ( 0.728 -0.737 -1.405) 1.746 6.640 ( -0.634 0.280 0.033) 0.693 6.641 ( -1.079 -0.014 0.275) 1.114 6.645 ( -1.772 0.252 0.846) 1.980 6.667 ( -0.529 -0.426 0.404) 0.790 6.787 ( -1.105 0.294 -0.934) 1.476 6.799 ( -0.500 -0.190 -0.069) 0.540 6.819 ( 0.554 0.145 -0.210) 0.610 6.825 ( 0.948 -0.079 0.406) 1.035 7.069 ( 0.490 0.168 -0.854) 0.999 7.076 ( 1.249 -0.133 0.071) 1.258 7.287 ( -0.285 0.070 0.076) 0.302 7.292 ( -0.037 -0.135 -0.108) 0.177 7.338 ( -2.149 0.468 -1.587) 2.712 7.351 ( 0.528 0.026 2.564) 2.618 7.381 ( 1.616 -0.179 2.460) 2.948 7.388 ( -0.234 -0.403 -1.494) 1.565 7.637 ( -0.278 0.066 0.067) 0.293 7.643 ( -0.343 -0.157 -0.476) 0.608 7.992 ( -0.430 0.331 -0.232) 0.590 8.008 ( -0.093 -0.341 -1.006) 1.066 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.647 1.577 -6.764) 8.356 0.890 ( -0.030 0.767 -8.990) 9.023 0.936 ( 3.136 0.428 -0.713) 3.244 0.948 ( 0.232 0.024 3.740) 3.747 1.002 ( 4.440 0.025 0.756) 4.504 1.034 ( 7.309 -0.290 11.401) 13.546 1.083 ( 8.140 -1.291 3.624) 9.003 1.119 ( -3.541 -2.788 3.248) 5.555 1.205 ( 0.932 1.399 7.805) 7.984 1.247 ( 3.191 -0.141 1.070) 3.369 1.396 ( -10.381 -0.735 -16.499) 19.507 1.408 ( -10.118 -1.205 -13.842) 17.188 1.546 ( 1.015 0.385 2.563) 2.783 1.574 ( 1.946 -1.005 2.436) 3.276 1.605 ( 4.320 0.350 -0.129) 4.337 1.638 ( 3.401 0.010 -1.443) 3.694 1.690 ( -1.569 0.635 -2.318) 2.870 1.697 ( -2.150 0.295 -2.113) 3.029 1.850 ( -3.165 1.708 3.314) 4.890 1.947 ( 3.789 -1.342 -3.081) 5.065 1.969 ( 3.480 0.343 0.175) 3.502 2.001 ( 2.365 0.045 6.850) 7.247 2.137 ( 5.303 1.749 5.248) 7.663 2.164 ( 5.146 0.899 6.297) 8.182 2.242 ( -2.015 0.772 -1.530) 2.645 2.314 ( -3.558 -0.796 -3.824) 5.284 2.368 ( -0.530 -0.765 -4.207) 4.309 2.372 ( -1.435 -0.249 0.451) 1.525 2.391 ( 0.363 0.706 3.755) 3.838 2.480 ( 0.675 -1.483 1.015) 1.920 2.526 ( -0.763 -0.235 -4.687) 4.755 2.547 ( -1.096 0.451 -0.655) 1.353 2.579 ( -0.181 0.310 -1.269) 1.319 2.641 ( -1.962 -1.280 0.924) 2.518 2.688 ( 0.399 1.523 -0.308) 1.604 2.730 ( 1.920 0.271 2.858) 3.453 2.742 ( 2.890 -0.260 5.660) 6.360 2.763 ( -1.040 -1.412 -2.418) 2.987 2.831 ( -0.142 0.432 -0.257) 0.522 2.842 ( -0.933 0.647 -2.001) 2.301 2.886 ( 0.564 -0.269 2.690) 2.761 2.917 ( -0.959 -0.923 1.501) 2.006 3.024 ( 0.600 -0.117 1.844) 1.942 3.035 ( 1.296 -0.271 1.406) 1.932 3.100 ( 0.081 0.251 -0.676) 0.726 3.104 ( 0.562 0.113 -1.363) 1.479 3.129 ( -1.084 0.213 -1.254) 1.671 3.140 ( -0.797 0.048 -1.526) 1.722 3.200 ( 0.338 0.481 2.072) 2.154 3.205 ( 0.323 0.462 1.945) 2.025 3.253 ( 0.488 0.163 3.746) 3.781 3.263 ( 0.732 -0.181 3.622) 3.700 3.325 ( 0.758 -0.037 1.477) 1.661 3.354 ( 1.748 -1.151 -0.100) 2.095 3.423 ( 0.336 0.532 -0.066) 0.633 3.430 ( 1.307 0.124 0.884) 1.583 3.462 ( -1.236 0.141 0.269) 1.273 3.473 ( -0.687 0.162 0.527) 0.881 3.531 ( 0.154 -0.222 1.329) 1.356 3.542 ( -0.586 -0.409 -0.679) 0.986 3.564 ( -2.072 0.153 -1.939) 2.842 3.570 ( -0.710 0.072 -0.191) 0.739 3.607 ( -0.204 0.537 -1.516) 1.621 3.639 ( -0.315 -0.628 -1.849) 1.978 3.748 ( -0.659 0.306 -0.654) 0.978 3.761 ( -1.206 -0.196 -1.400) 1.858 3.878 ( 0.604 0.161 -0.249) 0.673 3.888 ( 1.175 -0.199 -0.750) 1.408 3.905 ( 0.847 0.295 0.799) 1.202 3.922 ( 1.490 -0.373 0.279) 1.561 3.948 ( -0.192 0.150 -0.318) 0.401 3.952 ( -0.242 0.005 -0.067) 0.251 4.204 ( -1.216 0.090 -1.002) 1.578 4.212 ( -0.896 -0.259 -1.049) 1.404 4.471 ( 0.993 0.964 1.288) 1.891 4.499 ( 1.481 -0.152 1.143) 1.877 4.635 ( -0.630 0.321 0.575) 0.911 4.653 ( -0.726 -0.102 0.868) 1.136 4.712 ( -1.246 0.254 -1.276) 1.801 4.738 ( -0.846 -0.676 -2.201) 2.453 5.053 ( 0.401 0.064 -0.230) 0.466 5.055 ( 0.269 -0.039 -0.159) 0.315 5.139 ( -0.727 0.191 3.066) 3.157 5.154 ( 0.025 -0.413 2.178) 2.216 5.428 ( -0.124 0.297 -2.168) 2.192 5.444 ( -0.252 -0.374 -2.157) 2.204 6.024 ( -1.657 0.384 -2.673) 3.168 6.047 ( -1.609 -0.576 -3.886) 4.245 6.641 ( 0.247 0.548 1.921) 2.013 6.657 ( 1.117 0.069 2.949) 3.154 6.659 ( 0.965 -0.063 3.977) 4.093 6.677 ( 0.485 -0.480 2.207) 2.310 6.773 ( 0.089 0.067 0.169) 0.202 6.778 ( -0.802 -0.101 -0.427) 0.914 6.851 ( 1.346 0.101 1.745) 2.206 6.853 ( 1.413 0.095 1.821) 2.307 7.060 ( -0.242 0.504 -2.214) 2.284 7.081 ( -0.142 -0.389 -1.427) 1.486 7.264 ( -2.885 0.300 -4.092) 5.016 7.273 ( -1.670 -0.151 -2.181) 2.751 7.276 ( -0.985 0.241 -1.215) 1.582 7.298 ( -2.233 -0.587 -2.706) 3.558 7.428 ( 1.663 0.073 2.192) 2.753 7.432 ( 0.971 -0.108 2.632) 2.808 7.617 ( -1.247 0.057 -1.080) 1.651 7.622 ( -0.902 -0.134 -1.558) 1.805 7.981 ( -0.505 0.351 -0.260) 0.668 7.998 ( -0.099 -0.358 -1.089) 1.150 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -10.163 5.605 0.624) 11.623 0.846 ( 1.945 0.552 -7.475) 7.744 0.889 ( -6.605 1.030 -8.532) 10.839 0.963 ( -1.541 -3.335 -1.583) 4.000 1.005 ( -2.915 -1.296 -7.148) 7.827 1.036 ( -4.843 -1.085 -9.749) 10.940 1.144 ( -3.300 -0.259 -1.566) 3.662 1.153 ( -0.737 0.498 1.829) 2.033 1.262 ( 7.795 0.669 5.334) 9.469 1.290 ( 5.993 -0.391 7.330) 9.477 1.299 ( 1.403 1.804 11.924) 12.141 1.418 ( 2.967 -2.147 8.566) 9.316 1.546 ( -4.450 -0.713 -2.399) 5.106 1.574 ( -2.515 -1.037 -0.876) 2.858 1.600 ( -1.015 0.736 2.390) 2.698 1.648 ( -0.496 -0.637 1.965) 2.125 1.729 ( 4.053 0.448 -0.942) 4.185 1.741 ( 5.581 0.445 -0.496) 5.620 1.814 ( -0.899 1.522 2.497) 3.059 1.922 ( -3.162 -2.330 -3.665) 5.372 1.974 ( 0.830 0.852 -7.367) 7.463 2.010 ( -0.742 -0.826 -4.644) 4.775 2.176 ( -3.552 -0.502 -1.939) 4.077 2.189 ( -4.470 -0.481 -3.142) 5.485 2.250 ( 1.266 -0.333 -0.272) 1.336 2.258 ( 1.307 -0.461 0.801) 1.601 2.336 ( -0.988 1.785 0.159) 2.047 2.361 ( 0.009 3.739 0.460) 3.767 2.410 ( -1.563 -1.064 3.463) 3.945 2.497 ( 0.589 0.603 -1.543) 1.758 2.539 ( 3.577 -1.088 -0.731) 3.810 2.560 ( 1.453 -1.880 -0.225) 2.386 2.587 ( 1.836 1.308 1.874) 2.932 2.633 ( 0.789 0.578 0.097) 0.983 2.695 ( -0.382 0.662 2.225) 2.352 2.742 ( -0.008 -1.237 1.068) 1.634 2.777 ( 0.630 0.511 1.066) 1.340 2.803 ( 0.529 -0.094 -0.404) 0.672 2.833 ( 1.309 0.045 1.601) 2.069 2.846 ( 0.453 -0.264 3.180) 3.223 2.909 ( 0.423 -0.054 0.697) 0.817 2.927 ( 1.743 -0.506 1.426) 2.308 3.048 ( -0.216 -0.528 2.230) 2.302 3.064 ( 0.378 -0.773 1.006) 1.324 3.102 ( -0.498 0.443 -0.704) 0.969 3.107 ( 0.351 0.631 0.858) 1.121 3.112 ( -0.630 -0.038 0.009) 0.631 3.123 ( 1.171 -0.146 0.311) 1.220 3.222 ( -0.897 0.297 3.465) 3.592 3.224 ( -0.853 0.284 2.638) 2.787 3.274 ( -0.300 0.253 1.617) 1.664 3.283 ( -0.455 -0.196 0.693) 0.851 3.325 ( -1.268 0.544 0.432) 1.445 3.373 ( -0.871 -1.498 -1.225) 2.122 3.411 ( -0.539 0.426 -0.844) 1.088 3.420 ( 0.596 0.287 -0.534) 0.850 3.468 ( 0.912 0.169 0.955) 1.331 3.479 ( 0.777 -0.390 1.280) 1.548 3.534 ( 2.521 0.419 -1.060) 2.767 3.537 ( 2.238 0.030 -1.035) 2.466 3.575 ( 1.110 -0.083 1.530) 1.893 3.597 ( 0.532 -0.535 1.101) 1.335 3.611 ( 0.887 0.370 -1.390) 1.690 3.630 ( 0.227 -0.246 -0.811) 0.877 3.715 ( -1.137 0.041 -2.842) 3.061 3.715 ( -1.271 0.043 -2.815) 3.088 3.875 ( -0.318 0.111 -1.204) 1.250 3.882 ( -0.621 -0.172 -1.723) 1.840 3.925 ( 0.178 0.159 0.789) 0.825 3.933 ( -0.287 -0.132 0.198) 0.373 3.947 ( 0.137 0.095 0.013) 0.167 3.952 ( 0.534 -0.113 -0.018) 0.547 4.180 ( -0.820 0.167 0.258) 0.876 4.193 ( -0.566 -0.334 -0.210) 0.690 4.502 ( 0.928 0.958 1.466) 1.982 4.530 ( 0.898 -0.131 0.570) 1.072 4.627 ( -0.853 0.751 0.702) 1.336 4.651 ( -0.072 0.299 0.790) 0.848 4.692 ( 0.518 -0.204 -1.340) 1.451 4.706 ( -0.412 -1.056 -2.802) 3.022 5.048 ( -0.799 0.066 0.335) 0.869 5.050 ( -0.765 -0.012 0.241) 0.802 5.166 ( 0.875 0.292 3.082) 3.217 5.187 ( 1.306 -0.549 2.576) 2.940 5.403 ( -0.394 0.202 -3.011) 3.043 5.414 ( -0.702 -0.258 -3.175) 3.262 5.975 ( -1.283 0.250 -2.077) 2.454 5.989 ( -1.424 -0.308 -3.028) 3.360 6.670 ( 1.185 0.222 1.738) 2.115 6.688 ( 0.593 -0.592 0.907) 1.235 6.720 ( 1.752 0.344 3.116) 3.591 6.727 ( 1.694 0.167 3.250) 3.669 6.774 ( 0.578 0.461 1.355) 1.543 6.795 ( 1.334 -0.445 2.021) 2.462 6.891 ( 1.420 0.192 2.169) 2.600 6.898 ( 1.351 -0.100 2.067) 2.471 7.034 ( -0.348 0.510 -2.067) 2.157 7.056 ( -0.880 -0.358 -1.947) 2.167 7.173 ( -3.275 -0.043 -4.503) 5.568 7.176 ( -4.208 -0.195 -4.867) 6.437 7.258 ( -0.447 0.157 -0.596) 0.761 7.267 ( -0.522 -0.216 -1.113) 1.248 7.456 ( -0.066 0.115 1.746) 1.751 7.463 ( 0.670 -0.143 1.429) 1.584 7.586 ( -0.931 0.176 -1.079) 1.435 7.596 ( -0.372 -0.229 -1.515) 1.577 7.973 ( -0.014 0.373 -0.263) 0.456 7.992 ( 0.407 -0.396 -1.098) 1.236 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( -7.074 6.971 4.715) 10.994 0.701 ( -6.955 3.380 5.590) 9.542 0.818 ( -3.495 -3.926 -2.019) 5.631 0.853 ( 2.159 -2.220 -0.897) 3.224 0.959 ( -1.073 -2.075 -0.685) 2.434 1.009 ( -4.491 -1.180 0.503) 4.671 1.091 ( -3.659 1.678 1.704) 4.371 1.113 ( -1.593 2.377 0.906) 3.001 1.351 ( -0.741 0.771 -3.314) 3.482 1.382 ( -1.625 -0.497 4.011) 4.356 1.405 ( -3.891 0.891 4.636) 6.118 1.442 ( 4.563 1.204 4.827) 6.751 1.456 ( -5.035 -0.991 -4.428) 6.778 1.544 ( 2.682 -3.641 3.000) 5.427 1.641 ( -0.294 0.648 -4.650) 4.704 1.670 ( -3.125 1.636 -3.150) 4.729 1.703 ( 4.916 -0.067 2.420) 5.480 1.790 ( -2.302 -2.601 -4.730) 5.868 1.855 ( 0.645 -0.798 -1.264) 1.628 1.886 ( -2.831 -1.702 -4.784) 5.814 1.913 ( 1.081 1.459 -2.575) 3.151 1.958 ( 5.057 -0.634 3.134) 5.983 2.128 ( -1.710 -0.276 4.960) 5.254 2.136 ( -2.339 -0.353 3.729) 4.416 2.253 ( 0.182 0.290 -0.161) 0.379 2.265 ( 0.011 -0.558 -1.089) 1.223 2.326 ( -1.209 2.441 1.962) 3.357 2.361 ( 0.056 2.663 -0.821) 2.787 2.399 ( -1.537 0.234 2.818) 3.219 2.475 ( -0.588 0.714 -2.291) 2.471 2.542 ( -0.180 -1.987 -2.128) 2.918 2.594 ( -0.486 -1.391 -1.885) 2.393 2.613 ( 0.452 1.274 -0.534) 1.454 2.650 ( 1.444 -0.384 -0.640) 1.626 2.743 ( -0.574 -0.233 -0.623) 0.879 2.743 ( 2.450 0.001 0.349) 2.475 2.790 ( 2.256 0.467 -1.262) 2.626 2.822 ( 2.364 -0.889 -1.822) 3.114 2.854 ( -0.345 0.459 0.397) 0.698 2.876 ( 0.830 -0.269 1.212) 1.493 2.924 ( 0.089 0.676 0.789) 1.043 2.961 ( -0.449 -0.829 1.018) 1.387 3.043 ( -0.297 -0.403 0.270) 0.568 3.053 ( -0.825 -0.588 -0.896) 1.353 3.087 ( -1.482 -0.164 -0.512) 1.576 3.092 ( -1.172 -0.153 -0.043) 1.182 3.144 ( 0.839 0.803 4.497) 4.644 3.167 ( 0.632 0.134 0.773) 1.008 3.190 ( -2.647 0.407 -0.666) 2.760 3.204 ( -1.013 -0.291 1.796) 2.082 3.280 ( -0.036 0.219 0.608) 0.647 3.292 ( 0.796 0.258 1.215) 1.475 3.326 ( 0.386 0.181 2.918) 2.949 3.354 ( -0.394 -0.516 0.719) 0.969 3.402 ( -0.560 0.570 -0.169) 0.817 3.434 ( 0.479 -0.716 -1.124) 1.416 3.496 ( 1.063 -0.016 0.517) 1.182 3.502 ( 0.283 -0.258 -0.531) 0.655 3.550 ( 0.540 0.226 -3.740) 3.786 3.562 ( -0.796 -0.232 -2.846) 2.965 3.580 ( 1.706 0.867 -1.077) 2.196 3.615 ( 1.481 -0.642 -0.170) 1.623 3.641 ( 1.717 0.038 -0.301) 1.744 3.642 ( 3.195 0.106 1.348) 3.469 3.686 ( 0.121 -0.155 -1.178) 1.195 3.692 ( 0.469 -0.220 -1.693) 1.771 3.855 ( -0.808 0.031 -0.812) 1.146 3.858 ( -0.532 -0.103 -0.549) 0.772 3.929 ( -0.205 0.016 0.775) 0.802 3.930 ( -0.284 0.001 0.681) 0.738 3.950 ( -0.053 0.072 -0.321) 0.334 3.953 ( -0.158 -0.080 -0.514) 0.544 4.175 ( -0.436 0.148 1.003) 1.103 4.187 ( -0.183 -0.317 0.177) 0.407 4.519 ( 0.011 0.761 0.461) 0.889 4.532 ( -0.439 0.512 -1.281) 1.448 4.624 ( -0.240 0.021 1.732) 1.748 4.665 ( 0.811 0.194 0.889) 1.219 4.687 ( 0.459 -0.549 -1.720) 1.863 4.711 ( 2.056 -0.268 -0.932) 2.274 5.035 ( -0.856 0.049 0.618) 1.057 5.037 ( -0.786 -0.005 0.416) 0.889 5.202 ( 0.769 0.371 1.386) 1.628 5.226 ( 0.939 -0.616 1.189) 1.636 5.379 ( -0.025 0.068 -1.430) 1.432 5.383 ( -0.165 -0.107 -1.987) 1.997 5.956 ( 0.088 0.073 0.113) 0.160 5.960 ( -0.232 -0.075 -0.416) 0.483 6.697 ( 0.318 -0.142 -0.498) 0.608 6.701 ( 0.999 -0.276 0.347) 1.093 6.747 ( 0.272 0.450 -0.296) 0.603 6.755 ( 0.893 0.162 0.246) 0.940 6.824 ( 0.957 0.063 0.770) 1.230 6.826 ( 0.793 0.065 0.442) 0.911 6.910 ( -0.474 0.133 -0.523) 0.718 6.918 ( 0.230 -0.176 0.031) 0.292 7.027 ( -2.004 0.369 -3.030) 3.651 7.035 ( 0.409 0.042 -0.003) 0.412 7.094 ( -0.508 -0.018 2.138) 2.197 7.105 ( -0.764 -0.470 0.937) 1.297 7.256 ( 0.408 0.063 0.214) 0.465 7.260 ( 0.345 -0.128 -0.237) 0.438 7.457 ( -0.946 0.331 0.888) 1.339 7.474 ( -0.294 -0.344 0.602) 0.753 7.576 ( 0.333 0.332 0.031) 0.472 7.592 ( 0.775 -0.352 -0.388) 0.935 7.977 ( 0.564 0.379 -0.221) 0.715 7.996 ( 0.894 -0.430 -1.029) 1.429 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -3.119 5.361 10.191) 11.930 0.709 ( -7.212 3.480 14.400) 16.476 0.795 ( -5.057 -6.189 1.215) 8.084 0.842 ( -6.334 -3.093 8.552) 11.083 0.929 ( 1.135 2.723 12.053) 12.409 0.978 ( 4.300 1.781 4.917) 6.770 1.097 ( 2.628 0.489 2.155) 3.433 1.129 ( 1.407 0.703 -1.010) 1.869 1.266 ( -3.489 -0.833 -0.827) 3.682 1.304 ( -4.866 -1.889 -8.472) 9.951 1.363 ( 0.619 0.558 -0.099) 0.839 1.385 ( -0.498 -0.312 -3.202) 3.255 1.522 ( -3.754 0.817 -3.765) 5.379 1.549 ( 2.009 0.483 -2.148) 2.981 1.571 ( -2.382 -0.133 -4.322) 4.936 1.583 ( -3.188 -0.860 -5.285) 6.231 1.742 ( -3.271 -0.571 -1.224) 3.539 1.749 ( 0.619 -1.137 -3.051) 3.315 1.792 ( 3.551 1.228 -0.490) 3.789 1.874 ( 2.305 -2.976 0.928) 3.877 1.998 ( 2.362 1.425 3.447) 4.415 2.037 ( -1.769 0.276 3.876) 4.270 2.184 ( 1.960 0.283 4.830) 5.220 2.206 ( 4.645 -0.096 8.245) 9.464 2.248 ( -1.290 0.099 1.004) 1.638 2.263 ( 1.162 -0.047 2.251) 2.534 2.310 ( -2.077 1.906 0.394) 2.846 2.344 ( -1.568 1.825 -0.574) 2.473 2.403 ( 0.105 0.719 1.460) 1.631 2.457 ( 0.289 -1.394 -1.600) 2.142 2.505 ( -1.679 -0.787 -3.228) 3.722 2.552 ( -1.728 -0.948 -1.684) 2.592 2.611 ( 0.095 1.232 -1.226) 1.741 2.654 ( -0.317 -0.837 -1.670) 1.894 2.718 ( -1.112 -0.829 -2.031) 2.459 2.742 ( -1.152 -1.364 -2.838) 3.353 2.798 ( -0.127 0.453 -3.122) 3.158 2.831 ( 1.184 0.390 -2.494) 2.788 2.867 ( 0.237 -0.445 -2.000) 2.063 2.877 ( 2.044 -0.065 -2.385) 3.142 2.924 ( 0.165 0.416 -0.720) 0.848 2.957 ( 0.332 -0.872 0.116) 0.940 3.029 ( -3.780 0.355 0.461) 3.824 3.051 ( -1.886 0.323 0.819) 2.081 3.059 ( 0.813 -0.287 1.461) 1.696 3.071 ( 1.059 0.015 0.937) 1.414 3.143 ( -0.209 0.360 -2.195) 2.234 3.155 ( 0.478 -0.062 -1.855) 1.916 3.181 ( -0.885 0.565 2.295) 2.524 3.208 ( -1.480 -0.463 1.394) 2.085 3.271 ( -0.915 0.268 -0.476) 1.066 3.301 ( -1.019 -0.671 -0.961) 1.553 3.342 ( -0.656 1.165 2.551) 2.880 3.372 ( -1.023 0.832 -0.128) 1.324 3.389 ( -0.678 -0.715 1.899) 2.139 3.411 ( -0.827 -0.809 -2.927) 3.147 3.461 ( -0.924 0.460 -1.460) 1.788 3.488 ( -0.828 -0.679 -0.548) 1.203 3.561 ( 0.212 0.765 -0.249) 0.832 3.572 ( 3.031 0.328 -0.563) 3.100 3.616 ( 3.641 -0.144 -0.521) 3.681 3.627 ( 0.483 -0.499 -1.206) 1.391 3.640 ( 0.399 0.042 -2.350) 2.384 3.652 ( -1.144 -0.471 -2.400) 2.700 3.735 ( 3.644 0.125 2.178) 4.247 3.744 ( 3.288 -0.253 1.839) 3.776 3.838 ( -1.372 -0.054 -0.201) 1.388 3.842 ( -1.132 -0.061 -0.207) 1.153 3.921 ( -0.893 0.231 -0.295) 0.969 3.930 ( -0.758 -0.125 -0.458) 0.895 3.941 ( 0.026 0.159 -0.064) 0.174 3.947 ( -0.051 -0.140 0.138) 0.203 4.179 ( -0.023 0.192 1.406) 1.419 4.190 ( 0.400 -0.287 0.650) 0.816 4.503 ( -0.949 0.786 -1.932) 2.291 4.510 ( -0.884 0.560 -1.061) 1.490 4.637 ( 0.036 -0.554 1.783) 1.867 4.683 ( 0.768 -2.046 -1.065) 2.431 4.700 ( 0.881 1.850 1.878) 2.779 4.742 ( 1.616 0.084 -0.476) 1.686 5.028 ( -0.330 0.052 0.341) 0.477 5.030 ( -0.218 -0.016 0.213) 0.305 5.204 ( -0.623 0.340 -0.892) 1.140 5.225 ( -0.805 -0.502 -1.389) 1.682 5.389 ( 1.196 0.023 1.085) 1.615 5.391 ( 1.070 -0.046 1.479) 1.826 5.979 ( 1.633 -0.025 2.225) 2.760 5.980 ( 1.403 -0.071 2.286) 2.683 6.690 ( -0.206 0.219 -1.693) 1.720 6.701 ( -0.661 -0.233 -1.457) 1.617 6.748 ( 0.098 0.172 -1.393) 1.407 6.754 ( -0.681 -0.030 -2.148) 2.254 6.802 ( -0.336 0.015 -2.086) 2.113 6.804 ( -1.662 -0.064 -3.084) 3.504 6.891 ( -1.864 0.076 -2.621) 3.217 6.892 ( -1.453 0.050 -2.523) 2.912 6.992 ( 0.594 0.997 2.192) 2.480 7.035 ( 0.157 -0.786 1.500) 1.701 7.164 ( 2.957 0.213 5.838) 6.547 7.173 ( 3.102 -0.218 6.237) 6.969 7.273 ( 0.834 -0.049 0.548) 0.999 7.275 ( 1.051 -0.124 0.890) 1.383 7.437 ( -1.513 0.519 -0.118) 1.604 7.463 ( -0.976 -0.528 -0.338) 1.160 7.596 ( 1.120 0.384 1.143) 1.646 7.614 ( 1.259 -0.371 0.629) 1.455 7.988 ( 0.707 0.356 -0.151) 0.806 8.006 ( 0.927 -0.409 -0.939) 1.381 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.217 -4.137 7.778) 8.894 0.641 ( -1.217 4.137 7.778) 8.894 0.736 ( -0.635 -4.717 7.138) 8.579 0.736 ( -0.635 4.717 7.138) 8.579 1.069 ( -1.330 -2.897 -9.035) 9.580 1.069 ( -1.330 2.897 -9.035) 9.580 1.132 ( -0.379 -0.923 0.883) 1.333 1.132 ( -0.379 0.923 0.883) 1.333 1.314 ( 8.151 -3.613 16.334) 18.610 1.314 ( 8.151 3.613 16.334) 18.610 1.402 ( -1.524 -1.668 -0.584) 2.333 1.402 ( -1.524 1.668 -0.584) 2.333 1.434 ( -1.957 -1.632 -3.369) 4.224 1.434 ( -1.957 1.632 -3.369) 4.224 1.509 ( 1.032 -0.057 -1.820) 2.093 1.509 ( 1.032 0.057 -1.820) 2.093 1.759 ( 2.279 -1.012 -0.686) 2.586 1.759 ( 2.279 1.012 -0.686) 2.586 1.866 ( 1.721 -1.958 -1.267) 2.898 1.866 ( 1.721 1.958 -1.267) 2.898 2.024 ( -3.361 -2.718 0.395) 4.340 2.024 ( -3.361 2.718 0.395) 4.340 2.191 ( -4.994 -1.301 -4.236) 6.677 2.191 ( -4.994 1.301 -4.236) 6.677 2.277 ( -1.310 -0.654 -0.117) 1.469 2.277 ( -1.310 0.654 -0.117) 1.469 2.352 ( 4.239 -3.047 1.469) 5.423 2.352 ( 4.239 3.047 1.469) 5.423 2.429 ( -0.284 -0.731 0.601) 0.987 2.429 ( -0.284 0.731 0.601) 0.987 2.502 ( 0.828 -1.079 4.450) 4.653 2.502 ( 0.828 1.079 4.450) 4.653 2.619 ( 0.023 -0.515 -1.293) 1.392 2.619 ( 0.023 0.515 -1.293) 1.392 2.683 ( -1.267 -0.782 -2.214) 2.668 2.683 ( -1.267 0.782 -2.214) 2.668 2.794 ( 1.284 -0.213 -1.647) 2.099 2.794 ( 1.284 0.213 -1.647) 2.099 2.870 ( -1.005 -0.747 -4.774) 4.936 2.870 ( -1.005 0.747 -4.774) 4.936 2.920 ( -1.072 -0.985 0.055) 1.457 2.920 ( -1.072 0.985 0.055) 1.457 3.013 ( -1.168 -0.997 1.800) 2.366 3.013 ( -1.168 0.997 1.800) 2.366 3.109 ( 1.765 -0.721 0.350) 1.939 3.109 ( 1.765 0.721 0.350) 1.939 3.154 ( 0.819 -0.683 0.466) 1.164 3.154 ( 0.819 0.683 0.466) 1.164 3.177 ( -1.159 -0.305 1.027) 1.578 3.177 ( -1.159 0.305 1.027) 1.578 3.244 ( -1.517 -0.224 -2.721) 3.123 3.244 ( -1.517 0.224 -2.721) 3.123 3.335 ( -0.822 -1.090 -3.259) 3.533 3.335 ( -0.822 1.090 -3.259) 3.533 3.387 ( -0.574 -0.646 2.585) 2.725 3.387 ( -0.574 0.646 2.585) 2.725 3.474 ( -0.009 -0.359 2.051) 2.083 3.474 ( -0.009 0.359 2.051) 2.083 3.552 ( -2.043 -0.933 -1.937) 2.966 3.552 ( -2.043 0.933 -1.937) 2.966 3.624 ( -0.194 -0.765 -1.056) 1.318 3.624 ( -0.194 0.765 -1.056) 1.318 3.688 ( 3.795 -0.924 1.632) 4.233 3.688 ( 3.795 0.924 1.632) 4.233 3.778 ( -1.853 -0.464 -1.676) 2.541 3.778 ( -1.853 0.464 -1.676) 2.541 3.817 ( 1.326 -0.276 0.100) 1.358 3.817 ( 1.326 0.276 0.100) 1.358 3.904 ( -0.730 -0.076 -0.609) 0.953 3.904 ( -0.730 0.076 -0.609) 0.953 3.949 ( 0.206 -0.061 0.194) 0.290 3.949 ( 0.206 0.061 0.194) 0.290 4.206 ( 0.935 -0.409 1.596) 1.894 4.206 ( 0.935 0.409 1.596) 1.894 4.484 ( -0.876 -0.206 -1.605) 1.840 4.484 ( -0.876 0.206 -1.605) 1.840 4.653 ( -0.059 -1.143 0.328) 1.190 4.653 ( -0.059 1.143 0.328) 1.190 4.752 ( 0.263 -1.054 1.055) 1.515 4.752 ( 0.263 1.054 1.055) 1.515 5.031 ( 0.346 -0.104 -0.021) 0.361 5.031 ( 0.346 0.104 -0.021) 0.361 5.182 ( -1.573 -0.401 -0.934) 1.872 5.182 ( -1.573 0.401 -0.934) 1.872 5.424 ( 1.265 -0.133 1.069) 1.662 5.424 ( 1.265 0.133 1.069) 1.662 6.033 ( 2.067 -0.321 2.306) 3.113 6.033 ( 2.067 0.321 2.306) 3.113 6.667 ( -1.086 -0.056 -1.662) 1.986 6.667 ( -1.086 0.056 -1.662) 1.986 6.701 ( -2.444 -0.080 -2.684) 3.631 6.701 ( -2.444 0.080 -2.684) 3.631 6.795 ( 0.598 -0.447 0.064) 0.749 6.795 ( 0.598 0.447 0.064) 0.749 6.840 ( -1.542 -0.338 -2.361) 2.841 6.840 ( -1.542 0.338 -2.361) 2.841 7.047 ( 1.331 -0.516 1.376) 1.983 7.047 ( 1.331 0.516 1.376) 1.983 7.266 ( 2.243 -0.198 4.313) 4.865 7.266 ( 2.243 0.198 4.313) 4.865 7.299 ( 1.339 -0.362 1.922) 2.370 7.299 ( 1.339 0.362 1.922) 2.370 7.416 ( -1.678 -0.941 -1.548) 2.469 7.416 ( -1.678 0.941 -1.548) 2.469 7.632 ( 0.752 -0.399 0.919) 1.252 7.632 ( 0.752 0.399 0.919) 1.252 8.004 ( 0.333 -0.485 -0.535) 0.795 8.004 ( 0.333 0.485 -0.535) 0.795 ======================= Grid point 79 (44/60) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 6.764 -2.217 7.797) 10.558 0.762 ( 6.764 2.217 7.797) 10.558 0.846 ( 6.077 -2.749 7.805) 10.267 0.846 ( 6.077 2.749 7.805) 10.267 0.974 ( 0.361 -0.291 -10.768) 10.778 0.974 ( 0.361 0.291 -10.768) 10.778 1.150 ( 0.552 -0.655 2.802) 2.930 1.150 ( 0.552 0.655 2.802) 2.930 1.218 ( -8.968 -2.731 -3.434) 9.984 1.218 ( -8.968 2.731 -3.434) 9.984 1.470 ( 2.253 -0.603 3.366) 4.095 1.470 ( 2.253 0.603 3.366) 4.095 1.519 ( 4.568 -0.538 0.434) 4.620 1.519 ( 4.568 0.538 0.434) 4.620 1.672 ( 6.772 -0.849 6.352) 9.324 1.672 ( 6.772 0.849 6.352) 9.324 1.769 ( -5.168 -0.926 -8.845) 10.286 1.769 ( -5.168 0.926 -8.845) 10.286 1.811 ( 0.718 -1.058 -0.557) 1.395 1.811 ( 0.718 1.058 -0.557) 1.395 1.921 ( -1.187 -2.169 -0.844) 2.613 1.921 ( -1.187 2.169 -0.844) 2.613 2.118 ( -1.605 -2.273 2.355) 3.645 2.118 ( -1.605 2.273 2.355) 3.645 2.290 ( 0.712 -1.392 1.844) 2.418 2.290 ( 0.712 1.392 1.844) 2.418 2.383 ( 1.015 -2.987 -4.161) 5.222 2.383 ( 1.015 2.987 -4.161) 5.222 2.417 ( -1.018 -1.251 2.219) 2.744 2.417 ( -1.018 1.251 2.219) 2.744 2.577 ( 0.523 -0.427 0.076) 0.679 2.577 ( 0.523 0.427 0.076) 0.679 2.625 ( -0.308 -0.806 1.028) 1.342 2.625 ( -0.308 0.806 1.028) 1.342 2.650 ( 1.338 -0.663 0.982) 1.788 2.650 ( 1.338 0.663 0.982) 1.788 2.788 ( -2.893 -1.904 -3.749) 5.104 2.788 ( -2.893 1.904 -3.749) 5.104 2.824 ( 2.081 -0.978 -0.315) 2.321 2.824 ( 2.081 0.978 -0.315) 2.321 2.905 ( -1.291 -0.649 0.664) 1.591 2.905 ( -1.291 0.649 0.664) 1.591 3.013 ( -0.003 -0.252 0.734) 0.776 3.013 ( -0.003 0.252 0.734) 0.776 3.115 ( -0.537 -0.436 -0.285) 0.748 3.115 ( -0.537 0.436 -0.285) 0.748 3.158 ( -0.553 -0.311 -0.441) 0.773 3.158 ( -0.553 0.311 -0.441) 0.773 3.202 ( 0.512 -0.457 0.931) 1.157 3.202 ( 0.512 0.457 0.931) 1.157 3.212 ( 0.786 -0.600 0.933) 1.360 3.212 ( 0.786 0.600 0.933) 1.360 3.314 ( 0.571 -1.193 -1.461) 1.971 3.314 ( 0.571 1.193 -1.461) 1.971 3.405 ( 0.592 -0.442 2.019) 2.150 3.405 ( 0.592 0.442 2.019) 2.150 3.491 ( -0.952 -0.134 1.692) 1.946 3.491 ( -0.952 0.134 1.692) 1.946 3.507 ( -0.414 -0.801 0.236) 0.932 3.507 ( -0.414 0.801 0.236) 0.932 3.611 ( -0.700 -0.939 -0.751) 1.391 3.611 ( -0.700 0.939 -0.751) 1.391 3.691 ( -3.944 -0.603 -4.129) 5.742 3.691 ( -3.944 0.603 -4.129) 5.742 3.751 ( 1.333 -0.802 1.495) 2.158 3.751 ( 1.333 0.802 1.495) 2.158 3.856 ( 2.153 -0.095 -0.180) 2.163 3.856 ( 2.153 0.095 -0.180) 2.163 3.896 ( 0.193 -0.080 -0.073) 0.222 3.896 ( 0.193 0.080 -0.073) 0.222 3.953 ( 0.087 -0.024 -0.009) 0.090 3.953 ( 0.087 0.024 -0.009) 0.090 4.225 ( -0.037 -0.258 0.084) 0.274 4.225 ( -0.037 0.258 0.084) 0.274 4.470 ( 0.289 -0.386 -0.122) 0.497 4.470 ( 0.289 0.386 -0.122) 0.497 4.649 ( -0.441 -0.784 0.305) 0.950 4.649 ( -0.441 0.784 0.305) 0.950 4.752 ( -0.895 -0.824 0.072) 1.219 4.752 ( -0.895 0.824 0.072) 1.219 5.042 ( 0.873 -0.124 -0.100) 0.887 5.042 ( 0.873 0.124 -0.100) 0.887 5.151 ( -1.548 -0.303 0.782) 1.761 5.151 ( -1.548 0.303 0.782) 1.761 5.443 ( 0.523 -0.418 -0.549) 0.866 5.443 ( 0.523 0.418 -0.549) 0.866 6.065 ( 0.329 -0.715 -0.683) 1.042 6.065 ( 0.329 0.715 -0.683) 1.042 6.641 ( -0.909 -0.015 0.247) 0.942 6.641 ( -0.909 0.015 0.247) 0.942 6.656 ( -1.113 -0.708 0.515) 1.416 6.656 ( -1.113 0.708 0.515) 1.416 6.793 ( -1.011 -0.370 -0.663) 1.265 6.793 ( -1.011 0.370 -0.663) 1.265 6.823 ( 0.966 -0.196 0.274) 1.023 6.823 ( 0.966 0.196 0.274) 1.023 7.073 ( 0.895 -0.215 -0.391) 1.001 7.073 ( 0.895 0.215 -0.391) 1.001 7.289 ( -0.143 -0.145 0.036) 0.207 7.289 ( -0.143 0.145 0.036) 0.207 7.348 ( -1.281 -0.438 0.198) 1.368 7.348 ( -1.281 0.438 0.198) 1.368 7.381 ( 1.135 -0.221 0.712) 1.358 7.381 ( 1.135 0.221 0.712) 1.358 7.639 ( -0.331 -0.171 -0.174) 0.411 7.639 ( -0.331 0.171 -0.174) 0.411 8.000 ( -0.259 -0.475 -0.617) 0.820 8.000 ( -0.259 0.475 -0.617) 0.820 ======================= Grid point 81 (45/60) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 1.976 -0.488 -7.305) 7.584 0.897 ( 1.976 0.488 -7.305) 7.584 0.948 ( 1.154 -0.784 3.054) 3.357 0.948 ( 1.154 0.784 3.054) 3.357 1.016 ( -0.370 -1.752 1.441) 2.298 1.016 ( -0.370 1.752 1.441) 2.298 1.073 ( 5.471 -1.145 6.774) 8.782 1.073 ( 5.471 1.145 6.774) 8.782 1.235 ( 2.584 -1.285 5.735) 6.420 1.235 ( 2.584 1.285 5.735) 6.420 1.389 ( -11.069 -0.345 -16.161) 19.592 1.389 ( -11.069 0.345 -16.161) 19.592 1.557 ( 1.981 -0.738 2.260) 3.094 1.557 ( 1.981 0.738 2.260) 3.094 1.624 ( 2.809 -1.271 -0.985) 3.237 1.624 ( 2.809 1.271 -0.985) 3.237 1.698 ( -1.374 -0.170 -2.339) 2.718 1.698 ( -1.374 0.170 -2.339) 2.718 1.900 ( -0.074 -3.085 -0.047) 3.087 1.900 ( -0.074 3.085 -0.047) 3.087 1.989 ( 2.943 -1.272 3.647) 4.856 1.989 ( 2.943 1.272 3.647) 4.856 2.166 ( 4.611 -0.879 5.488) 7.222 2.166 ( 4.611 0.879 5.488) 7.222 2.275 ( -2.495 -2.541 -3.533) 5.016 2.275 ( -2.495 2.541 -3.533) 5.016 2.365 ( -0.502 -0.544 -0.086) 0.745 2.365 ( -0.502 0.544 -0.086) 0.745 2.433 ( 0.889 -3.017 2.076) 3.769 2.433 ( 0.889 3.017 2.076) 3.769 2.537 ( -1.045 -1.065 -3.298) 3.620 2.537 ( -1.045 1.065 -3.298) 3.620 2.605 ( -0.871 -2.044 0.294) 2.242 2.605 ( -0.871 2.044 0.294) 2.242 2.727 ( 0.553 -1.963 0.125) 2.043 2.727 ( 0.553 1.963 0.125) 2.043 2.738 ( 1.548 -0.566 2.128) 2.691 2.738 ( 1.548 0.566 2.128) 2.691 2.842 ( -0.584 -0.544 -0.526) 0.956 2.842 ( -0.584 0.544 -0.526) 0.956 2.895 ( -0.009 -1.112 1.499) 1.867 2.895 ( -0.009 1.112 1.499) 1.867 3.028 ( 0.507 -0.393 1.775) 1.888 3.028 ( 0.507 0.393 1.775) 1.888 3.104 ( 0.142 -0.084 -0.517) 0.543 3.104 ( 0.142 0.084 -0.517) 0.543 3.136 ( -0.830 -0.368 -1.736) 1.959 3.136 ( -0.830 0.368 -1.736) 1.959 3.208 ( 0.134 -0.196 2.168) 2.181 3.208 ( 0.134 0.196 2.168) 2.181 3.258 ( 0.731 -0.336 3.433) 3.526 3.258 ( 0.731 0.336 3.433) 3.526 3.333 ( 1.414 -0.933 0.550) 1.781 3.333 ( 1.414 0.933 0.550) 1.781 3.430 ( 0.609 -0.191 0.402) 0.755 3.430 ( 0.609 0.191 0.402) 0.755 3.469 ( -0.956 -0.455 0.478) 1.161 3.469 ( -0.956 0.455 0.478) 1.161 3.534 ( 0.251 -0.435 0.770) 0.920 3.534 ( 0.251 0.435 0.770) 0.920 3.567 ( -1.783 -0.236 -1.174) 2.148 3.567 ( -1.783 0.236 -1.174) 2.148 3.623 ( -0.216 -0.969 -1.929) 2.170 3.623 ( -0.216 0.969 -1.929) 2.170 3.755 ( -0.894 -0.379 -1.080) 1.452 3.755 ( -0.894 0.379 -1.080) 1.452 3.883 ( 0.772 -0.302 -0.370) 0.908 3.883 ( 0.772 0.302 -0.370) 0.908 3.913 ( 1.265 -0.489 0.469) 1.435 3.913 ( 1.265 0.489 0.469) 1.435 3.951 ( -0.239 -0.106 -0.204) 0.332 3.951 ( -0.239 0.106 -0.204) 0.332 4.207 ( -1.052 -0.248 -1.054) 1.510 4.207 ( -1.052 0.248 -1.054) 1.510 4.490 ( 1.169 -0.830 1.317) 1.947 4.490 ( 1.169 0.830 1.317) 1.947 4.645 ( -0.162 -0.650 0.234) 0.710 4.645 ( -0.162 0.650 0.234) 0.710 4.723 ( -1.512 -0.820 -1.323) 2.170 4.723 ( -1.512 0.820 -1.323) 2.170 5.054 ( 0.346 -0.074 -0.190) 0.402 5.054 ( 0.346 0.074 -0.190) 0.402 5.145 ( -0.361 -0.450 2.615) 2.678 5.145 ( -0.361 0.450 2.615) 2.678 5.436 ( -0.172 -0.475 -2.190) 2.247 5.436 ( -0.172 0.475 -2.190) 2.247 6.035 ( -1.606 -0.669 -3.200) 3.642 6.035 ( -1.606 0.669 -3.200) 3.642 6.652 ( 0.543 -0.452 2.196) 2.307 6.652 ( 0.543 0.452 2.196) 2.307 6.666 ( 0.874 -0.615 3.344) 3.511 6.666 ( 0.874 0.615 3.344) 3.511 6.776 ( -0.356 -0.154 -0.122) 0.407 6.776 ( -0.356 0.154 -0.122) 0.407 6.853 ( 1.362 -0.089 1.763) 2.230 6.853 ( 1.362 0.089 1.763) 2.230 7.071 ( -0.172 -0.644 -1.816) 1.934 7.071 ( -0.172 0.644 -1.816) 1.934 7.269 ( -2.342 -0.254 -3.147) 3.931 7.269 ( -2.342 0.254 -3.147) 3.931 7.285 ( -1.572 -0.698 -1.961) 2.609 7.285 ( -1.572 0.698 -1.961) 2.609 7.430 ( 1.323 -0.137 2.396) 2.740 7.430 ( 1.323 0.137 2.396) 2.740 7.619 ( -1.075 -0.137 -1.293) 1.687 7.619 ( -1.075 0.137 -1.293) 1.687 7.989 ( -0.304 -0.500 -0.675) 0.894 7.989 ( -0.304 0.500 -0.675) 0.894 ======================= Grid point 83 (46/60) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -5.996 -5.897 -1.038) 8.474 0.801 ( -5.996 5.897 -1.038) 8.474 0.909 ( -1.143 -1.693 -8.778) 9.013 0.909 ( -1.143 1.693 -8.778) 9.013 1.009 ( -5.455 -1.432 -7.828) 9.648 1.009 ( -5.455 1.432 -7.828) 9.648 1.147 ( -0.478 -0.651 2.327) 2.464 1.147 ( -0.478 0.651 2.327) 2.464 1.277 ( 7.046 -0.808 6.406) 9.557 1.277 ( 7.046 0.808 6.406) 9.557 1.357 ( 2.130 -3.722 10.125) 10.996 1.357 ( 2.130 3.722 10.125) 10.996 1.552 ( -4.207 -1.081 -2.240) 4.887 1.552 ( -4.207 1.081 -2.240) 4.887 1.624 ( -0.270 -1.559 1.344) 2.076 1.624 ( -0.270 1.559 1.344) 2.076 1.739 ( 5.622 -0.467 -0.315) 5.650 1.739 ( 5.622 0.467 -0.315) 5.650 1.865 ( -3.569 -3.344 -0.494) 4.916 1.865 ( -3.569 3.344 -0.494) 4.916 1.993 ( 0.328 -1.002 -6.958) 7.037 1.993 ( 0.328 1.002 -6.958) 7.037 2.177 ( -4.096 -0.521 -2.436) 4.794 2.177 ( -4.096 0.521 -2.436) 4.794 2.251 ( 0.944 -0.321 0.151) 1.009 2.251 ( 0.944 0.321 0.151) 1.009 2.369 ( -0.733 -1.512 2.602) 3.098 2.369 ( -0.733 1.512 2.602) 3.098 2.460 ( -0.087 -4.255 0.564) 4.293 2.460 ( -0.087 4.255 0.564) 4.293 2.531 ( 2.609 -1.222 -2.040) 3.531 2.531 ( 2.609 1.222 -2.040) 3.531 2.624 ( 1.983 -1.602 1.400) 2.908 2.624 ( 1.983 1.602 1.400) 2.908 2.716 ( -0.700 -1.424 1.898) 2.474 2.716 ( -0.700 1.424 1.898) 2.474 2.792 ( 0.790 -0.847 -0.308) 1.199 2.792 ( 0.790 0.847 -0.308) 1.199 2.839 ( 0.609 -0.455 2.877) 2.976 2.839 ( 0.609 0.455 2.877) 2.976 2.914 ( 1.337 -0.618 0.600) 1.590 2.914 ( 1.337 0.618 0.600) 1.590 3.049 ( -0.014 -0.592 1.545) 1.655 3.049 ( -0.014 0.592 1.545) 1.655 3.110 ( -0.840 -0.299 -0.584) 1.066 3.110 ( -0.840 0.299 -0.584) 1.066 3.117 ( 0.887 -0.471 1.191) 1.558 3.117 ( 0.887 0.471 1.191) 1.558 3.227 ( -0.923 -0.085 3.085) 3.221 3.227 ( -0.923 0.085 3.085) 3.221 3.279 ( -0.225 -0.245 0.895) 0.954 3.279 ( -0.225 0.245 0.895) 0.954 3.344 ( -0.835 -1.419 -0.192) 1.657 3.344 ( -0.835 1.419 -0.192) 1.657 3.419 ( -0.132 -0.319 -0.819) 0.889 3.419 ( -0.132 0.319 -0.819) 0.889 3.472 ( 0.729 -0.307 0.894) 1.193 3.472 ( 0.729 0.307 0.894) 1.193 3.538 ( 2.452 -0.048 -0.664) 2.541 3.538 ( 2.452 0.048 -0.664) 2.541 3.582 ( 0.565 -0.783 1.096) 1.460 3.582 ( 0.565 0.783 1.096) 1.460 3.622 ( 0.792 -0.603 -0.960) 1.383 3.622 ( 0.792 0.603 -0.960) 1.383 3.715 ( -1.277 -0.010 -2.884) 3.154 3.715 ( -1.277 0.010 -2.884) 3.154 3.878 ( -0.471 -0.201 -1.445) 1.533 3.878 ( -0.471 0.201 -1.445) 1.533 3.929 ( -0.110 -0.215 0.518) 0.571 3.929 ( -0.110 0.215 0.518) 0.571 3.949 ( 0.352 -0.131 0.014) 0.376 3.949 ( 0.352 0.131 0.014) 0.376 4.186 ( -0.673 -0.389 -0.029) 0.778 4.186 ( -0.673 0.389 -0.029) 0.778 4.521 ( 0.866 -0.859 1.254) 1.749 4.521 ( 0.866 0.859 1.254) 1.749 4.646 ( -0.056 -0.980 0.096) 0.986 4.646 ( -0.056 0.980 0.096) 0.986 4.690 ( -0.309 -0.270 -1.617) 1.668 4.690 ( -0.309 0.270 -1.617) 1.668 5.049 ( -0.778 -0.053 0.285) 0.830 5.049 ( -0.778 0.053 0.285) 0.830 5.175 ( 1.086 -0.607 2.822) 3.084 5.175 ( 1.086 0.607 2.822) 3.084 5.408 ( -0.530 -0.323 -3.120) 3.181 5.408 ( -0.530 0.323 -3.120) 3.181 5.982 ( -1.348 -0.390 -2.496) 2.864 5.982 ( -1.348 0.390 -2.496) 2.864 6.677 ( 0.851 -0.508 1.200) 1.556 6.677 ( 0.851 0.508 1.200) 1.556 6.726 ( 1.754 -0.247 3.321) 3.764 6.726 ( 1.754 0.247 3.321) 3.764 6.785 ( 1.001 -0.614 1.748) 2.106 6.785 ( 1.001 0.614 1.748) 2.106 6.895 ( 1.360 -0.230 2.053) 2.474 6.895 ( 1.360 0.230 2.053) 2.474 7.046 ( -0.619 -0.647 -1.964) 2.159 7.046 ( -0.619 0.647 -1.964) 2.159 7.173 ( -3.772 -0.099 -4.750) 6.067 7.173 ( -3.772 0.099 -4.750) 6.067 7.262 ( -0.474 -0.272 -0.840) 1.002 7.262 ( -0.474 0.272 -0.840) 1.002 7.459 ( 0.314 -0.184 1.574) 1.616 7.459 ( 0.314 0.184 1.574) 1.616 7.591 ( -0.648 -0.287 -1.289) 1.471 7.591 ( -0.648 0.287 -1.289) 1.471 7.983 ( 0.188 -0.541 -0.679) 0.888 7.983 ( 0.188 0.541 -0.679) 0.888 ======================= Grid point 85 (47/60) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -5.558 -7.964 -0.385) 9.720 0.696 ( -5.558 7.964 -0.385) 9.720 0.781 ( -2.919 -4.244 4.343) 6.738 0.781 ( -2.919 4.244 4.343) 6.738 0.972 ( -0.146 -2.208 -2.507) 3.344 0.972 ( -0.146 2.208 -2.507) 3.344 1.124 ( -3.908 -1.089 3.506) 5.362 1.124 ( -3.908 1.089 3.506) 5.362 1.370 ( -0.800 -0.996 -0.080) 1.280 1.370 ( -0.800 0.996 -0.080) 1.280 1.427 ( -6.026 -1.384 0.112) 6.184 1.427 ( -6.026 1.384 0.112) 6.184 1.482 ( 5.080 -2.638 3.260) 6.587 1.482 ( 5.080 2.638 3.260) 6.587 1.662 ( 0.899 -1.433 -2.717) 3.200 1.662 ( 0.899 1.433 -2.717) 3.200 1.735 ( -1.504 -2.777 -1.895) 3.683 1.735 ( -1.504 2.777 -1.895) 3.683 1.857 ( -0.997 -1.018 -2.528) 2.902 1.857 ( -0.997 1.018 -2.528) 2.902 1.940 ( 2.837 -1.231 -0.757) 3.184 1.940 ( 2.837 1.231 -0.757) 3.184 2.129 ( -1.764 -0.305 4.627) 4.961 2.129 ( -1.764 0.305 4.627) 4.961 2.257 ( 0.352 -0.264 -0.520) 0.681 2.257 ( 0.352 0.264 -0.520) 0.681 2.366 ( -1.531 -1.505 2.839) 3.559 2.366 ( -1.531 1.505 2.839) 3.559 2.447 ( -0.557 -3.437 -1.437) 3.767 2.447 ( -0.557 3.437 -1.437) 3.767 2.549 ( 0.566 -2.453 -2.523) 3.564 2.549 ( 0.566 2.453 -2.523) 3.564 2.639 ( -0.136 -1.086 -0.680) 1.289 2.639 ( -0.136 1.086 -0.680) 1.289 2.741 ( 0.406 -0.207 -0.317) 0.555 2.741 ( 0.406 0.207 -0.317) 0.555 2.804 ( 2.940 -0.962 -1.128) 3.292 2.804 ( 2.940 0.962 -1.128) 3.292 2.866 ( 0.137 -0.732 0.522) 0.909 2.866 ( 0.137 0.732 0.522) 0.909 2.942 ( -0.095 -1.112 0.822) 1.386 2.942 ( -0.095 1.112 0.822) 1.386 3.042 ( -0.437 -0.373 -0.088) 0.581 3.042 ( -0.437 0.373 -0.088) 0.581 3.088 ( -1.357 -0.233 -0.311) 1.411 3.088 ( -1.357 0.233 -0.311) 1.411 3.160 ( 0.843 -0.785 3.350) 3.542 3.160 ( 0.843 0.785 3.350) 3.542 3.198 ( -2.120 -0.361 -0.176) 2.158 3.198 ( -2.120 0.361 -0.176) 2.158 3.288 ( 0.636 -0.541 0.526) 0.986 3.288 ( 0.636 0.541 0.526) 0.986 3.339 ( -0.057 -0.988 2.263) 2.470 3.339 ( -0.057 0.988 2.263) 2.470 3.417 ( -0.169 -0.937 -0.693) 1.178 3.417 ( -0.169 0.937 -0.693) 1.178 3.498 ( 0.785 -0.183 0.043) 0.807 3.498 ( 0.785 0.183 0.043) 0.807 3.555 ( -0.039 -0.364 -3.300) 3.320 3.555 ( -0.039 0.364 -3.300) 3.320 3.599 ( 1.573 -0.998 -0.423) 1.910 3.599 ( 1.573 0.998 -0.423) 1.910 3.643 ( 2.272 -0.063 0.314) 2.294 3.643 ( 2.272 0.063 0.314) 2.294 3.687 ( 0.243 -0.267 -1.345) 1.392 3.687 ( 0.243 0.267 -1.345) 1.392 3.856 ( -0.697 -0.093 -0.678) 0.977 3.856 ( -0.697 0.093 -0.678) 0.977 3.930 ( -0.218 -0.064 0.790) 0.823 3.930 ( -0.218 0.064 0.790) 0.823 3.952 ( -0.131 -0.080 -0.422) 0.449 3.952 ( -0.131 0.080 -0.422) 0.449 4.180 ( -0.283 -0.357 0.544) 0.710 4.180 ( -0.283 0.357 0.544) 0.710 4.533 ( -0.167 -0.468 -0.099) 0.507 4.533 ( -0.167 0.468 -0.099) 0.507 4.641 ( -0.152 -1.629 -0.079) 1.637 4.641 ( -0.152 1.629 -0.079) 1.637 4.699 ( 1.650 -0.932 -0.238) 1.910 4.699 ( 1.650 0.932 -0.238) 1.910 5.036 ( -0.824 -0.049 0.513) 0.972 5.036 ( -0.824 0.049 0.513) 0.972 5.212 ( 0.871 -0.709 1.296) 1.715 5.212 ( 0.871 0.709 1.296) 1.715 5.381 ( -0.086 -0.128 -1.725) 1.732 5.381 ( -0.086 0.128 -1.725) 1.732 5.958 ( -0.074 -0.102 -0.125) 0.177 5.958 ( -0.074 0.102 -0.125) 0.177 6.697 ( 0.735 -0.131 -0.105) 0.753 6.697 ( 0.735 0.131 -0.105) 0.753 6.755 ( 0.467 -0.240 -0.028) 0.526 6.755 ( 0.467 0.240 -0.028) 0.526 6.826 ( 0.816 -0.090 0.612) 1.024 6.826 ( 0.816 0.090 0.612) 1.024 6.913 ( -0.026 -0.248 -0.226) 0.336 6.913 ( -0.026 0.248 -0.226) 0.336 7.033 ( -0.786 -0.253 -1.549) 1.756 7.033 ( -0.786 0.253 -1.549) 1.756 7.097 ( -0.594 -0.323 1.584) 1.722 7.097 ( -0.594 0.323 1.584) 1.722 7.257 ( 0.355 -0.140 -0.006) 0.382 7.257 ( 0.355 0.140 -0.006) 0.382 7.465 ( -0.610 -0.492 0.724) 1.068 7.465 ( -0.610 0.492 0.724) 1.068 7.584 ( 0.569 -0.485 -0.181) 0.769 7.584 ( 0.569 0.485 -0.181) 0.769 7.986 ( 0.719 -0.566 -0.616) 1.103 7.986 ( 0.719 0.566 -0.616) 1.103 ======================= Grid point 87 (48/60) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -2.658 -8.527 4.641) 10.066 0.642 ( -2.658 8.527 4.641) 10.066 0.782 ( -9.145 -3.694 10.854) 14.666 0.782 ( -9.145 3.694 10.854) 14.666 0.978 ( 5.648 -1.870 7.822) 9.827 0.978 ( 5.648 1.870 7.822) 9.827 1.122 ( -0.031 -1.739 2.995) 3.464 1.122 ( -0.031 1.739 2.995) 3.464 1.267 ( -4.473 -1.350 -6.592) 8.080 1.267 ( -4.473 1.350 -6.592) 8.080 1.375 ( 0.522 -0.647 -2.051) 2.214 1.375 ( 0.522 0.647 -2.051) 2.214 1.543 ( -2.756 -1.099 -2.167) 3.673 1.543 ( -2.756 1.099 -2.167) 3.673 1.572 ( -1.149 -0.192 -5.549) 5.669 1.572 ( -1.149 0.192 -5.549) 5.669 1.735 ( -0.743 -0.140 -1.712) 1.871 1.735 ( -0.743 0.140 -1.712) 1.871 1.824 ( 2.508 -2.199 0.439) 3.364 1.824 ( 2.508 2.199 0.439) 3.364 2.025 ( 0.748 -1.261 4.200) 4.449 2.025 ( 0.748 1.261 4.200) 4.449 2.199 ( 4.292 -0.788 7.557) 8.726 2.199 ( 4.292 0.788 7.557) 8.726 2.252 ( -0.766 -0.599 0.638) 1.163 2.252 ( -0.766 0.599 0.638) 1.163 2.350 ( -2.363 -1.583 0.101) 2.846 2.350 ( -2.363 1.583 0.101) 2.846 2.425 ( -0.405 -1.785 -0.701) 1.960 2.425 ( -0.405 1.785 -0.701) 1.960 2.518 ( -1.367 -2.054 -2.318) 3.385 2.518 ( -1.367 2.054 -2.318) 3.385 2.635 ( 0.219 -1.152 -1.821) 2.166 2.635 ( 0.219 1.152 -1.821) 2.166 2.717 ( -0.970 -0.900 -2.125) 2.503 2.717 ( -0.970 0.900 -2.125) 2.503 2.817 ( -1.180 -1.293 -3.883) 4.260 2.817 ( -1.180 1.293 -3.883) 4.260 2.872 ( 2.445 -0.467 -1.462) 2.886 2.872 ( 2.445 0.467 -1.462) 2.886 2.938 ( -0.035 -0.991 -0.474) 1.099 2.938 ( -0.035 0.991 -0.474) 1.099 3.041 ( -2.473 -0.807 1.458) 2.982 3.041 ( -2.473 0.807 1.458) 2.982 3.067 ( 1.082 -0.491 0.849) 1.460 3.067 ( 1.082 0.491 0.849) 1.460 3.151 ( 0.017 -0.359 -2.114) 2.144 3.151 ( 0.017 0.359 -2.114) 2.144 3.195 ( -1.195 -0.837 2.077) 2.538 3.195 ( -1.195 0.837 2.077) 2.538 3.284 ( -0.965 -0.953 -1.087) 1.738 3.284 ( -0.965 0.953 -1.087) 1.738 3.367 ( -0.411 -1.276 3.167) 3.439 3.367 ( -0.411 1.276 3.167) 3.439 3.393 ( -1.151 -1.042 -2.277) 2.756 3.393 ( -1.151 1.042 -2.277) 2.756 3.473 ( -0.939 -0.776 -0.880) 1.503 3.473 ( -0.939 0.776 -0.880) 1.503 3.574 ( 1.838 -0.323 -0.336) 1.896 3.574 ( 1.838 0.323 -0.336) 1.896 3.617 ( 1.834 -0.340 -0.905) 2.073 3.617 ( 1.834 0.340 -0.905) 2.073 3.644 ( -0.320 -0.367 -2.294) 2.345 3.644 ( -0.320 0.367 -2.294) 2.345 3.739 ( 3.408 -0.286 1.915) 3.920 3.739 ( 3.408 0.286 1.915) 3.920 3.839 ( -1.231 -0.144 -0.154) 1.249 3.839 ( -1.231 0.144 -0.154) 1.249 3.926 ( -0.817 -0.266 -0.375) 0.938 3.926 ( -0.817 0.266 -0.375) 0.938 3.944 ( 0.006 -0.169 0.076) 0.186 3.944 ( 0.006 0.169 0.076) 0.186 4.184 ( 0.237 -0.353 0.991) 1.079 4.184 ( 0.237 0.353 0.991) 1.079 4.515 ( -0.982 -0.242 -1.476) 1.789 4.515 ( -0.982 0.242 -1.476) 1.789 4.646 ( 0.399 -1.446 0.377) 1.547 4.646 ( 0.399 1.446 0.377) 1.547 4.731 ( 1.322 -1.211 0.677) 1.916 4.731 ( 1.322 1.211 0.677) 1.916 5.029 ( -0.273 -0.062 0.270) 0.389 5.029 ( -0.273 0.062 0.270) 0.389 5.214 ( -0.696 -0.616 -1.145) 1.475 5.214 ( -0.696 0.616 -1.145) 1.475 5.390 ( 1.154 -0.076 1.240) 1.696 5.390 ( 1.154 0.076 1.240) 1.696 5.979 ( 1.437 -0.044 2.229) 2.653 5.979 ( 1.437 0.044 2.229) 2.653 6.695 ( -0.338 -0.352 -1.547) 1.622 6.695 ( -0.338 0.352 -1.547) 1.622 6.752 ( -0.380 -0.205 -1.753) 1.805 6.752 ( -0.380 0.205 -1.753) 1.805 6.803 ( -0.980 -0.073 -2.614) 2.793 6.803 ( -0.980 0.073 -2.614) 2.793 6.892 ( -1.639 -0.043 -2.541) 3.024 6.892 ( -1.639 0.043 -2.541) 3.024 7.015 ( 0.325 -1.256 1.739) 2.170 7.015 ( 0.325 1.256 1.739) 2.170 7.168 ( 3.102 -0.275 6.049) 6.803 7.168 ( 3.102 0.275 6.049) 6.803 7.273 ( 0.893 -0.059 0.735) 1.158 7.273 ( 0.893 0.059 0.735) 1.158 7.450 ( -1.233 -0.766 -0.258) 1.474 7.450 ( -1.233 0.766 -0.258) 1.474 7.605 ( 1.199 -0.535 0.880) 1.581 7.605 ( 1.199 0.535 0.880) 1.581 7.997 ( 0.817 -0.535 -0.531) 1.111 7.997 ( 0.817 0.535 -0.531) 1.111 ======================= Grid point 95 (49/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 1.497 0.000 -1.642) 2.221 0.754 ( -1.497 0.000 1.642) 2.221 0.867 ( -3.098 0.000 -14.309) 14.641 0.867 ( 3.098 0.000 14.309) 14.641 0.911 ( -0.176 0.000 -0.660) 0.683 0.911 ( 0.176 0.000 0.660) 0.683 1.152 ( -0.047 0.000 -0.385) 0.388 1.152 ( 0.047 0.000 0.385) 0.388 1.290 ( -8.716 0.000 -0.190) 8.718 1.290 ( 8.716 0.000 0.190) 8.718 1.432 ( -6.788 0.000 -0.748) 6.829 1.432 ( 6.788 0.000 0.748) 6.829 1.489 ( 0.695 0.000 -1.230) 1.413 1.489 ( -0.695 0.000 1.230) 1.413 1.652 ( -2.761 0.000 -7.422) 7.918 1.652 ( 2.761 0.000 7.422) 7.918 1.747 ( -2.903 0.000 -6.148) 6.799 1.747 ( 2.903 0.000 6.148) 6.799 1.798 ( -3.578 0.000 -5.331) 6.420 1.798 ( 3.578 0.000 5.331) 6.420 1.952 ( -1.358 0.000 -1.841) 2.287 1.952 ( 1.358 0.000 1.841) 2.287 2.073 ( 4.073 0.000 -1.443) 4.321 2.073 ( -4.073 0.000 1.443) 4.321 2.281 ( -0.597 0.000 -0.069) 0.601 2.281 ( 0.597 0.000 0.069) 0.601 2.412 ( 0.537 0.000 -5.837) 5.862 2.412 ( -0.537 0.000 5.837) 5.862 2.456 ( -2.297 0.000 -2.769) 3.598 2.456 ( 2.297 0.000 2.769) 3.598 2.561 ( -2.378 0.000 -1.306) 2.713 2.561 ( 2.378 0.000 1.306) 2.713 2.615 ( -1.348 0.000 -2.309) 2.674 2.615 ( 1.348 0.000 2.309) 2.674 2.670 ( -1.209 0.000 -4.042) 4.219 2.670 ( 1.209 0.000 4.042) 4.219 2.779 ( -1.651 0.000 -0.304) 1.679 2.779 ( 1.651 0.000 0.304) 1.679 2.832 ( -1.220 0.000 -1.700) 2.093 2.832 ( 1.220 0.000 1.700) 2.093 2.922 ( -1.423 0.000 -1.817) 2.307 2.922 ( 1.423 0.000 1.817) 2.307 3.011 ( 0.522 0.000 -2.891) 2.938 3.011 ( -0.522 0.000 2.891) 2.938 3.102 ( -0.665 0.000 -2.415) 2.504 3.102 ( 0.665 0.000 2.415) 2.504 3.148 ( 0.221 0.000 -0.252) 0.335 3.148 ( -0.221 0.000 0.252) 0.335 3.186 ( -2.263 0.000 -1.885) 2.945 3.186 ( 2.263 0.000 1.885) 2.945 3.219 ( -1.508 0.000 -2.247) 2.706 3.219 ( 1.508 0.000 2.247) 2.706 3.317 ( 0.068 0.000 -1.750) 1.751 3.317 ( -0.068 0.000 1.750) 1.751 3.404 ( 0.013 0.000 -0.807) 0.808 3.404 ( -0.013 0.000 0.807) 0.808 3.506 ( -1.201 0.000 -0.830) 1.460 3.506 ( 1.201 0.000 0.830) 1.460 3.525 ( -0.885 0.000 -2.610) 2.756 3.525 ( 0.885 0.000 2.610) 2.756 3.612 ( 1.005 0.000 -0.952) 1.385 3.612 ( -1.005 0.000 0.952) 1.385 3.710 ( -3.832 0.000 -2.747) 4.715 3.710 ( 3.832 0.000 2.747) 4.715 3.754 ( -3.804 0.000 -2.246) 4.418 3.754 ( 3.804 0.000 2.246) 4.418 3.824 ( -0.205 0.000 -0.440) 0.485 3.824 ( 0.205 0.000 0.440) 0.485 3.895 ( -0.142 0.000 -0.158) 0.212 3.895 ( 0.142 0.000 0.158) 0.212 3.950 ( -0.168 0.000 -0.096) 0.193 3.950 ( 0.168 0.000 0.096) 0.193 4.225 ( 0.062 0.000 -0.557) 0.560 4.225 ( -0.062 0.000 0.557) 0.560 4.454 ( -0.664 0.000 -0.385) 0.767 4.454 ( 0.664 0.000 0.385) 0.767 4.683 ( -0.651 0.000 0.063) 0.654 4.683 ( 0.651 0.000 -0.063) 0.654 4.741 ( -0.321 0.000 -0.119) 0.342 4.741 ( 0.321 0.000 0.119) 0.342 5.030 ( 0.065 0.000 -0.131) 0.146 5.030 ( -0.065 0.000 0.131) 0.146 5.174 ( -0.047 0.000 -0.560) 0.561 5.174 ( 0.047 0.000 0.560) 0.561 5.437 ( 0.560 0.000 -0.219) 0.602 5.437 ( -0.560 0.000 0.219) 0.602 6.060 ( 0.626 0.000 -0.434) 0.761 6.060 ( -0.626 0.000 0.434) 0.761 6.649 ( -0.327 0.000 0.094) 0.340 6.649 ( 0.327 0.000 -0.094) 0.340 6.674 ( -0.650 0.000 0.155) 0.668 6.674 ( 0.650 0.000 -0.155) 0.668 6.794 ( -1.369 0.000 -1.118) 1.768 6.794 ( 1.369 0.000 1.118) 1.768 6.817 ( -0.903 0.000 -0.952) 1.312 6.817 ( 0.903 0.000 0.952) 1.312 7.061 ( -0.790 0.000 -0.663) 1.031 7.061 ( 0.790 0.000 0.663) 1.031 7.291 ( 0.083 0.000 -0.106) 0.135 7.291 ( -0.083 0.000 0.106) 0.135 7.349 ( -2.659 0.000 -3.249) 4.198 7.349 ( 2.659 0.000 3.249) 4.198 7.388 ( -2.151 0.000 -3.717) 4.295 7.388 ( 2.151 0.000 3.717) 4.295 7.642 ( -0.087 0.000 -0.527) 0.534 7.642 ( 0.087 0.000 0.527) 0.534 7.999 ( 0.238 0.000 -0.671) 0.712 7.999 ( -0.238 0.000 0.671) 0.712 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 0.414 0.000 -14.326) 14.332 0.833 ( 5.126 0.000 -2.320) 5.626 0.843 ( 6.182 0.000 1.957) 6.484 0.924 ( 5.304 0.000 -2.512) 5.869 0.956 ( 3.085 0.000 2.965) 4.279 1.069 ( 3.459 0.000 12.517) 12.986 1.098 ( -6.342 0.000 0.473) 6.360 1.191 ( 2.819 0.000 -1.844) 3.369 1.196 ( -1.465 0.000 -1.011) 1.780 1.297 ( -6.856 0.000 1.528) 7.024 1.381 ( -2.995 0.000 -14.077) 14.392 1.395 ( -3.182 0.000 -4.311) 5.358 1.484 ( 3.492 0.000 -4.733) 5.882 1.533 ( 3.694 0.000 -0.228) 3.701 1.546 ( 2.022 0.000 0.910) 2.218 1.547 ( 1.915 0.000 -2.486) 3.137 1.716 ( -0.993 0.000 0.741) 1.239 1.733 ( -2.007 0.000 1.472) 2.489 1.834 ( 0.922 0.000 -5.585) 5.660 1.923 ( 0.437 0.000 1.127) 1.209 1.977 ( -4.723 0.000 3.526) 5.894 2.007 ( 5.800 0.000 7.584) 9.548 2.138 ( 5.437 0.000 9.827) 11.231 2.139 ( 1.840 0.000 4.493) 4.855 2.274 ( -0.881 0.000 0.459) 0.994 2.306 ( 2.120 0.000 -0.964) 2.329 2.367 ( -4.815 0.000 -4.018) 6.271 2.368 ( -0.812 0.000 -5.487) 5.547 2.445 ( -0.336 0.000 4.474) 4.487 2.474 ( -0.827 0.000 -3.945) 4.030 2.512 ( -2.829 0.000 -6.469) 7.060 2.524 ( 1.856 0.000 0.863) 2.047 2.583 ( -1.446 0.000 0.394) 1.499 2.646 ( 1.975 0.000 0.240) 1.989 2.690 ( 1.522 0.000 2.080) 2.577 2.711 ( 1.545 0.000 1.361) 2.059 2.775 ( -0.378 0.000 3.951) 3.970 2.788 ( -1.649 0.000 -0.911) 1.884 2.827 ( 0.348 0.000 2.421) 2.446 2.837 ( -0.734 0.000 -0.742) 1.044 2.911 ( 0.256 0.000 0.908) 0.943 2.961 ( 0.803 0.000 1.253) 1.488 3.017 ( 1.689 0.000 0.736) 1.843 3.030 ( 0.018 0.000 3.007) 3.007 3.073 ( 0.393 0.000 -1.716) 1.761 3.090 ( -1.333 0.000 -1.230) 1.813 3.140 ( -1.215 0.000 -1.304) 1.782 3.141 ( -0.771 0.000 -0.395) 0.866 3.190 ( 1.582 0.000 2.073) 2.607 3.195 ( 0.883 0.000 -0.383) 0.963 3.261 ( 3.011 0.000 3.064) 4.295 3.268 ( 2.442 0.000 1.608) 2.923 3.331 ( 1.661 0.000 0.679) 1.795 3.341 ( 0.544 0.000 2.216) 2.282 3.400 ( 0.248 0.000 -1.693) 1.711 3.417 ( 0.952 0.000 0.350) 1.014 3.486 ( -1.387 0.000 -1.799) 2.272 3.486 ( -0.558 0.000 0.543) 0.778 3.542 ( 1.311 0.000 1.053) 1.682 3.558 ( -0.274 0.000 1.711) 1.733 3.600 ( -2.475 0.000 1.211) 2.756 3.613 ( -2.259 0.000 -0.799) 2.396 3.624 ( -1.358 0.000 0.364) 1.406 3.635 ( -4.065 0.000 -2.378) 4.709 3.759 ( -1.025 0.000 0.337) 1.079 3.777 ( -1.632 0.000 -0.728) 1.787 3.838 ( 2.574 0.000 -0.756) 2.683 3.849 ( 1.849 0.000 -0.635) 1.955 3.906 ( 0.476 0.000 0.794) 0.926 3.907 ( 1.104 0.000 1.201) 1.631 3.945 ( -0.182 0.000 -0.344) 0.390 3.953 ( 0.078 0.000 -0.105) 0.131 4.210 ( -0.396 0.000 -1.750) 1.795 4.211 ( -0.953 0.000 -1.119) 1.470 4.460 ( 0.766 0.000 1.346) 1.549 4.483 ( 1.477 0.000 1.228) 1.921 4.669 ( -1.188 0.000 0.824) 1.446 4.688 ( -0.392 0.000 0.556) 0.680 4.718 ( -1.412 0.000 -1.291) 1.913 4.729 ( -1.041 0.000 -1.387) 1.734 5.035 ( 0.627 0.000 -0.331) 0.709 5.037 ( 0.847 0.000 -0.547) 1.008 5.177 ( 0.068 0.000 1.356) 1.357 5.186 ( -0.169 0.000 2.660) 2.666 5.416 ( -1.075 0.000 -1.444) 1.800 5.431 ( -0.361 0.000 -1.948) 1.981 6.025 ( -1.883 0.000 -2.351) 3.012 6.037 ( -1.303 0.000 -3.273) 3.523 6.653 ( 0.027 0.000 1.615) 1.615 6.669 ( 0.973 0.000 2.044) 2.264 6.689 ( 0.669 0.000 3.612) 3.674 6.701 ( 0.820 0.000 2.772) 2.891 6.774 ( -0.155 0.000 0.146) 0.213 6.793 ( -0.942 0.000 -0.335) 0.999 6.841 ( 2.040 0.000 2.230) 3.022 6.846 ( 1.229 0.000 1.760) 2.147 7.035 ( -0.735 0.000 -2.435) 2.544 7.070 ( 0.279 0.000 -1.057) 1.093 7.263 ( -2.915 0.000 -4.718) 5.546 7.274 ( -1.488 0.000 -2.705) 3.087 7.283 ( -0.922 0.000 -0.529) 1.063 7.311 ( -2.303 0.000 -3.607) 4.280 7.414 ( 2.101 0.000 1.874) 2.816 7.444 ( 1.309 0.000 2.351) 2.691 7.621 ( -1.025 0.000 -1.644) 1.938 7.630 ( -1.155 0.000 -0.661) 1.331 7.992 ( -0.298 0.000 -0.802) 0.856 7.993 ( -0.809 0.000 0.606) 1.011 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 3.785 0.000 -11.221) 11.842 0.810 ( -6.167 0.000 -0.435) 6.182 0.900 ( -2.219 0.000 -3.112) 3.822 0.940 ( -1.853 0.000 -17.876) 17.971 0.982 ( -2.397 0.000 2.025) 3.138 1.052 ( 1.648 0.000 1.357) 2.135 1.091 ( 4.199 0.000 -2.200) 4.741 1.114 ( 0.331 0.000 -9.734) 9.739 1.234 ( 0.037 0.000 5.656) 5.656 1.292 ( 5.010 0.000 11.220) 12.288 1.397 ( 2.805 0.000 8.403) 8.859 1.439 ( 5.877 0.000 4.741) 7.551 1.533 ( -1.042 0.000 -4.072) 4.204 1.562 ( 3.130 0.000 -2.732) 4.155 1.611 ( 2.741 0.000 -1.244) 3.010 1.625 ( 4.992 0.000 1.482) 5.208 1.702 ( -1.780 0.000 0.734) 1.925 1.712 ( -0.212 0.000 5.268) 5.273 1.830 ( 1.819 0.000 -2.000) 2.704 1.895 ( -1.431 0.000 -3.476) 3.759 1.910 ( -3.254 0.000 -0.961) 3.393 2.068 ( -2.616 0.000 -0.661) 2.699 2.201 ( -1.468 0.000 -2.388) 2.803 2.230 ( 0.949 0.000 -0.641) 1.145 2.243 ( -0.419 0.000 -1.092) 1.170 2.244 ( -2.500 0.000 0.205) 2.508 2.318 ( 0.196 0.000 -1.813) 1.823 2.321 ( -0.831 0.000 -0.946) 1.260 2.444 ( 0.455 0.000 -0.597) 0.750 2.462 ( 1.748 0.000 -3.061) 3.525 2.502 ( 0.969 0.000 4.588) 4.689 2.566 ( 0.935 0.000 1.643) 1.891 2.580 ( 0.550 0.000 1.337) 1.445 2.667 ( -2.333 0.000 -0.123) 2.336 2.702 ( 1.065 0.000 2.708) 2.910 2.732 ( -1.631 0.000 -0.288) 1.656 2.791 ( -0.971 0.000 -1.236) 1.571 2.791 ( 2.424 0.000 2.111) 3.215 2.833 ( 0.219 0.000 1.544) 1.560 2.867 ( 3.299 0.000 4.311) 5.429 2.917 ( -0.208 0.000 0.443) 0.489 2.957 ( -1.609 0.000 1.195) 2.004 3.045 ( 0.752 0.000 -0.606) 0.966 3.063 ( 0.350 0.000 -0.393) 0.526 3.087 ( 2.285 0.000 1.403) 2.681 3.092 ( 0.422 0.000 -0.066) 0.427 3.122 ( -0.665 0.000 0.571) 0.877 3.128 ( 1.252 0.000 2.613) 2.897 3.217 ( 1.117 0.000 -0.749) 1.345 3.233 ( 1.290 0.000 1.062) 1.672 3.307 ( -0.866 0.000 -0.067) 0.869 3.315 ( 1.241 0.000 -0.535) 1.351 3.360 ( 0.482 0.000 1.450) 1.529 3.364 ( 0.624 0.000 0.742) 0.969 3.388 ( -0.349 0.000 0.328) 0.479 3.416 ( -2.169 0.000 -3.067) 3.756 3.462 ( 1.431 0.000 1.384) 1.991 3.491 ( -0.024 0.000 1.161) 1.161 3.513 ( -1.094 0.000 -0.499) 1.202 3.530 ( -2.781 0.000 1.158) 3.012 3.567 ( 0.799 0.000 -0.288) 0.850 3.596 ( -0.365 0.000 2.402) 2.430 3.616 ( 0.063 0.000 1.223) 1.225 3.642 ( -0.267 0.000 1.402) 1.427 3.712 ( -2.125 0.000 -2.934) 3.623 3.718 ( -2.773 0.000 -2.777) 3.925 3.860 ( 0.361 0.000 -1.092) 1.150 3.866 ( 0.647 0.000 -1.119) 1.292 3.925 ( 0.802 0.000 1.165) 1.414 3.937 ( 0.677 0.000 0.900) 1.126 3.941 ( 0.165 0.000 -0.399) 0.432 3.949 ( -0.311 0.000 -0.219) 0.380 4.191 ( -0.378 0.000 -0.216) 0.436 4.195 ( -0.002 0.000 -1.056) 1.056 4.491 ( 1.111 0.000 1.771) 2.090 4.514 ( 1.043 0.000 0.346) 1.099 4.656 ( -1.011 0.000 1.563) 1.861 4.677 ( -0.901 0.000 0.003) 0.902 4.682 ( -1.096 0.000 -1.374) 1.758 4.692 ( -1.408 0.000 -1.528) 2.078 5.046 ( 0.724 0.000 -0.459) 0.857 5.048 ( 0.775 0.000 -0.639) 1.004 5.195 ( 0.541 0.000 1.583) 1.673 5.204 ( -0.471 0.000 3.392) 3.424 5.384 ( -0.853 0.000 -1.784) 1.978 5.399 ( -0.947 0.000 -2.736) 2.895 5.976 ( -1.326 0.000 -1.901) 2.318 5.984 ( -1.402 0.000 -2.785) 3.118 6.673 ( 0.569 0.000 1.895) 1.979 6.699 ( 0.385 0.000 1.214) 1.273 6.727 ( 0.102 0.000 1.696) 1.699 6.736 ( 0.814 0.000 2.960) 3.070 6.782 ( -0.028 0.000 1.551) 1.551 6.800 ( 1.467 0.000 2.765) 3.130 6.888 ( 1.347 0.000 2.249) 2.622 6.897 ( 1.716 0.000 2.368) 2.924 7.006 ( 0.113 0.000 -2.155) 2.158 7.054 ( -0.716 0.000 -1.796) 1.933 7.172 ( -2.646 0.000 -4.922) 5.588 7.188 ( -3.177 0.000 -5.617) 6.454 7.263 ( -0.785 0.000 -0.413) 0.887 7.269 ( -0.942 0.000 -1.195) 1.522 7.456 ( 1.414 0.000 0.775) 1.613 7.472 ( 0.392 0.000 1.205) 1.268 7.590 ( -0.819 0.000 -1.596) 1.794 7.598 ( -1.448 0.000 -0.708) 1.611 7.980 ( -0.206 0.000 -0.836) 0.861 7.982 ( -0.852 0.000 0.657) 1.076 ======================= Grid point 99 (52/60) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 7.312 0.000 -6.101) 9.523 0.692 ( -7.312 0.000 6.101) 9.523 0.824 ( 1.834 0.000 -4.742) 5.085 0.824 ( -1.834 0.000 4.742) 5.085 1.010 ( -2.341 0.000 -1.699) 2.893 1.010 ( 2.341 0.000 1.699) 2.893 1.130 ( -0.419 0.000 -0.270) 0.498 1.130 ( 0.419 0.000 0.270) 0.498 1.341 ( -4.194 0.000 -2.597) 4.933 1.341 ( 4.194 0.000 2.597) 4.933 1.505 ( -0.400 0.000 -8.436) 8.445 1.505 ( 0.400 0.000 8.436) 8.445 1.525 ( -2.425 0.000 -3.632) 4.367 1.525 ( 2.425 0.000 3.632) 4.367 1.643 ( -3.636 0.000 -2.056) 4.177 1.643 ( 3.636 0.000 2.056) 4.177 1.736 ( 4.846 0.000 -2.269) 5.351 1.736 ( -4.846 0.000 2.269) 5.351 1.860 ( -0.566 0.000 0.002) 0.566 1.860 ( 0.566 0.000 -0.002) 0.566 1.922 ( -6.005 0.000 -7.145) 9.333 1.922 ( 6.005 0.000 7.145) 9.333 2.189 ( -0.878 0.000 -3.228) 3.345 2.189 ( 0.878 0.000 3.228) 3.345 2.246 ( -0.069 0.000 -1.973) 1.975 2.246 ( 0.069 0.000 1.973) 1.975 2.309 ( 0.387 0.000 -0.569) 0.688 2.309 ( -0.387 0.000 0.569) 0.688 2.463 ( -0.236 0.000 -1.088) 1.114 2.463 ( 0.236 0.000 1.088) 1.114 2.562 ( -2.091 0.000 -2.385) 3.172 2.562 ( 2.091 0.000 2.385) 3.172 2.610 ( -2.516 0.000 -1.161) 2.771 2.610 ( 2.516 0.000 1.161) 2.771 2.718 ( 1.199 0.000 -1.313) 1.778 2.718 ( -1.199 0.000 1.313) 1.778 2.789 ( -1.406 0.000 -0.533) 1.503 2.789 ( 1.406 0.000 0.533) 1.503 2.897 ( -2.763 0.000 -0.090) 2.764 2.897 ( 2.763 0.000 0.090) 2.764 2.935 ( 2.799 0.000 -2.885) 4.019 2.935 ( -2.799 0.000 2.885) 4.019 3.052 ( -0.255 0.000 -0.829) 0.867 3.052 ( 0.255 0.000 0.829) 0.867 3.101 ( -0.467 0.000 -0.728) 0.865 3.101 ( 0.467 0.000 0.728) 0.865 3.159 ( -1.132 0.000 -2.301) 2.564 3.159 ( 1.132 0.000 2.301) 2.564 3.232 ( -1.713 0.000 -1.709) 2.420 3.232 ( 1.713 0.000 1.709) 2.420 3.281 ( -0.646 0.000 -0.307) 0.715 3.281 ( 0.646 0.000 0.307) 0.715 3.378 ( 1.802 0.000 -3.639) 4.060 3.378 ( -1.802 0.000 3.639) 4.060 3.384 ( 0.654 0.000 -0.888) 1.103 3.384 ( -0.654 0.000 0.888) 1.103 3.492 ( 0.161 0.000 -1.142) 1.153 3.492 ( -0.161 0.000 1.142) 1.153 3.523 ( 0.496 0.000 -0.306) 0.583 3.523 ( -0.496 0.000 0.306) 0.583 3.590 ( -2.224 0.000 -0.588) 2.301 3.590 ( 2.224 0.000 0.588) 2.301 3.621 ( -1.160 0.000 -1.928) 2.250 3.621 ( 1.160 0.000 1.928) 2.250 3.677 ( 0.060 0.000 -0.148) 0.159 3.677 ( -0.060 0.000 0.148) 0.159 3.859 ( -0.237 0.000 -0.148) 0.280 3.859 ( 0.237 0.000 0.148) 0.280 3.942 ( 0.082 0.000 -0.459) 0.466 3.942 ( -0.082 0.000 0.459) 0.466 3.943 ( 0.067 0.000 -0.885) 0.887 3.943 ( -0.067 0.000 0.885) 0.887 4.190 ( 0.052 0.000 -0.540) 0.543 4.190 ( -0.052 0.000 0.540) 0.543 4.518 ( -0.346 0.000 -1.193) 1.242 4.518 ( 0.346 0.000 1.193) 1.242 4.660 ( 0.299 0.000 -2.679) 2.695 4.660 ( -0.299 0.000 2.679) 2.695 4.669 ( 0.825 0.000 -1.249) 1.497 4.669 ( -0.825 0.000 1.249) 1.497 5.052 ( -0.092 0.000 -0.069) 0.114 5.052 ( 0.092 0.000 0.069) 0.114 5.211 ( 0.755 0.000 -1.112) 1.345 5.211 ( -0.755 0.000 1.112) 1.345 5.371 ( -0.214 0.000 -0.687) 0.720 5.371 ( 0.214 0.000 0.687) 0.720 5.957 ( -0.045 0.000 -0.413) 0.416 5.957 ( 0.045 0.000 0.413) 0.416 6.696 ( -0.642 0.000 -0.772) 1.004 6.696 ( 0.642 0.000 0.772) 1.004 6.740 ( -0.543 0.000 -0.340) 0.641 6.740 ( 0.543 0.000 0.340) 0.641 6.819 ( -0.949 0.000 -1.603) 1.862 6.819 ( 0.949 0.000 1.603) 1.862 6.914 ( -0.649 0.000 -0.517) 0.829 6.914 ( 0.649 0.000 0.517) 0.829 7.027 ( -1.264 0.000 -1.593) 2.033 7.027 ( 1.264 0.000 1.593) 2.033 7.119 ( -0.377 0.000 0.124) 0.397 7.119 ( 0.377 0.000 -0.124) 0.397 7.254 ( -0.003 0.000 -0.330) 0.330 7.254 ( 0.003 0.000 0.330) 0.330 7.477 ( 0.519 0.000 -0.243) 0.573 7.477 ( -0.519 0.000 0.243) 0.573 7.578 ( 0.473 0.000 -0.397) 0.617 7.578 ( -0.473 0.000 0.397) 0.617 7.975 ( 0.375 0.000 -0.755) 0.843 7.975 ( -0.375 0.000 0.755) 0.843 ======================= Grid point 103 (53/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.239 -0.469 -1.589) 1.674 0.749 ( -0.239 -0.469 1.589) 1.674 0.862 ( -2.657 -0.247 -12.284) 12.571 0.862 ( 2.657 -0.247 12.284) 12.571 0.897 ( -0.699 -1.237 -3.463) 3.743 0.897 ( 0.699 -1.237 3.463) 3.743 1.151 ( -0.040 -0.006 -0.566) 0.568 1.151 ( 0.040 -0.006 0.566) 0.568 1.311 ( -8.176 2.102 -0.200) 8.445 1.311 ( 8.176 2.102 0.200) 8.445 1.413 ( -6.936 -1.860 -0.822) 7.228 1.413 ( 6.936 -1.860 0.822) 7.228 1.496 ( 0.482 0.582 -1.024) 1.273 1.496 ( -0.482 0.582 1.024) 1.273 1.648 ( -1.654 -0.492 -4.302) 4.636 1.648 ( 1.654 -0.492 4.302) 4.636 1.759 ( -3.322 1.110 -7.047) 7.869 1.759 ( 3.322 1.110 7.047) 7.869 1.799 ( -2.879 0.048 -4.667) 5.484 1.799 ( 2.879 0.048 4.667) 5.484 1.928 ( -1.728 -1.432 -2.894) 3.662 1.928 ( 1.728 -1.432 2.894) 3.662 2.133 ( 2.358 4.909 -2.435) 5.966 2.133 ( -2.358 4.909 2.435) 5.966 2.278 ( 0.344 -0.331 -0.723) 0.866 2.278 ( -0.344 -0.331 0.723) 0.866 2.381 ( 0.342 -2.918 -4.798) 5.626 2.381 ( -0.342 -2.918 4.798) 5.626 2.452 ( -1.261 -0.469 -2.190) 2.570 2.452 ( 1.261 -0.469 2.190) 2.570 2.564 ( -1.310 0.357 -1.247) 1.844 2.564 ( 1.310 0.357 1.247) 1.844 2.623 ( -1.625 0.660 -3.075) 3.540 2.623 ( 1.625 0.660 3.075) 3.540 2.661 ( -1.235 -0.898 -3.732) 4.032 2.661 ( 1.235 -0.898 3.732) 4.032 2.779 ( -1.979 0.133 -1.217) 2.327 2.779 ( 1.979 0.133 1.217) 2.327 2.817 ( -1.755 -1.367 -2.149) 3.093 2.817 ( 1.755 -1.367 2.149) 3.093 2.920 ( -0.880 -0.114 -1.186) 1.481 2.920 ( 0.880 -0.114 1.186) 1.481 3.024 ( 0.354 1.018 -1.982) 2.256 3.024 ( -0.354 1.018 1.982) 2.256 3.105 ( -0.391 0.203 -1.703) 1.759 3.105 ( 0.391 0.203 1.703) 1.759 3.155 ( -0.587 0.634 -0.417) 0.960 3.155 ( 0.587 0.634 0.417) 0.960 3.189 ( -2.194 0.309 -1.853) 2.888 3.189 ( 2.194 0.309 1.853) 2.888 3.216 ( -1.310 -0.288 -1.967) 2.381 3.216 ( 1.310 -0.288 1.967) 2.381 3.306 ( 0.057 -0.888 -1.436) 1.689 3.306 ( -0.057 -0.888 1.436) 1.689 3.410 ( 0.076 0.465 -0.585) 0.752 3.410 ( -0.076 0.465 0.585) 0.752 3.508 ( -1.055 0.230 -1.237) 1.642 3.508 ( 1.055 0.230 1.237) 1.642 3.522 ( -0.806 -0.290 -2.401) 2.549 3.522 ( 0.806 -0.290 2.401) 2.549 3.611 ( 0.718 -0.108 -0.727) 1.027 3.611 ( -0.718 -0.108 0.727) 1.027 3.716 ( -3.733 0.594 -2.679) 4.633 3.716 ( 3.733 0.594 2.679) 4.633 3.747 ( -3.730 -0.626 -2.311) 4.432 3.747 ( 3.730 -0.626 2.311) 4.432 3.824 ( -0.144 -0.012 -0.303) 0.336 3.824 ( 0.144 -0.012 0.303) 0.336 3.895 ( -0.099 0.008 -0.118) 0.154 3.895 ( 0.099 0.008 0.118) 0.154 3.951 ( -0.116 0.072 -0.069) 0.153 3.951 ( 0.116 0.072 0.069) 0.153 4.225 ( 0.040 -0.027 -0.392) 0.395 4.225 ( -0.040 -0.027 0.392) 0.395 4.460 ( -0.472 0.519 -0.275) 0.754 4.460 ( 0.472 0.519 0.275) 0.754 4.669 ( 0.290 -1.068 -0.865) 1.405 4.669 ( -0.290 -1.068 0.865) 1.405 4.754 ( 0.303 0.890 -0.828) 1.253 4.754 ( -0.303 0.890 0.828) 1.253 5.030 ( 0.043 -0.010 -0.098) 0.108 5.030 ( -0.043 -0.010 0.098) 0.108 5.173 ( -0.029 -0.098 -0.403) 0.416 5.173 ( 0.029 -0.098 0.403) 0.416 5.436 ( 0.364 -0.055 -0.145) 0.396 5.436 ( -0.364 -0.055 0.145) 0.396 6.058 ( 0.437 -0.103 -0.298) 0.539 6.058 ( -0.437 -0.103 0.298) 0.539 6.649 ( -0.091 -0.011 0.018) 0.093 6.649 ( 0.091 -0.011 -0.018) 0.093 6.674 ( -0.468 0.071 0.096) 0.483 6.674 ( 0.468 0.071 -0.096) 0.483 6.797 ( -1.212 0.282 -1.003) 1.599 6.797 ( 1.212 0.282 1.003) 1.599 6.815 ( -0.884 -0.202 -0.886) 1.268 6.815 ( 0.884 -0.202 0.886) 1.268 7.061 ( -0.559 -0.010 -0.470) 0.730 7.061 ( 0.559 -0.010 0.470) 0.730 7.291 ( 0.049 -0.019 -0.083) 0.098 7.291 ( -0.049 -0.019 0.083) 0.098 7.354 ( -2.510 0.486 -3.180) 4.080 7.354 ( 2.510 0.486 3.180) 4.080 7.383 ( -2.151 -0.539 -3.520) 4.160 7.383 ( 2.151 -0.539 3.520) 4.160 7.641 ( -0.061 -0.013 -0.375) 0.380 7.641 ( 0.061 -0.013 0.375) 0.380 7.999 ( 0.169 -0.007 -0.474) 0.503 7.999 ( -0.169 -0.007 0.474) 0.503 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 1.139 1.160 -12.578) 12.683 0.819 ( 3.150 -1.796 -2.107) 4.194 0.849 ( 7.565 0.633 -0.440) 7.604 0.897 ( 5.865 -1.941 -0.968) 6.253 0.977 ( 4.005 1.644 3.950) 5.860 1.052 ( 4.920 -1.748 12.822) 13.845 1.119 ( -6.151 1.999 -1.392) 6.616 1.185 ( 2.110 -0.699 -2.672) 3.475 1.203 ( -2.339 0.885 0.281) 2.517 1.276 ( -6.878 -2.027 2.499) 7.593 1.389 ( -4.778 0.812 -13.056) 13.927 1.407 ( -4.714 0.735 -7.702) 9.060 1.488 ( 4.425 0.533 -3.501) 5.668 1.524 ( 3.170 -0.851 0.510) 3.322 1.535 ( 2.632 -0.311 0.462) 2.691 1.550 ( 3.351 -0.480 -1.787) 3.828 1.715 ( -1.310 0.098 0.258) 1.339 1.733 ( -1.730 -0.196 1.059) 2.038 1.835 ( 0.705 0.234 -4.380) 4.442 1.886 ( -0.546 -2.404 0.006) 2.465 2.004 ( 1.344 2.114 5.867) 6.379 2.044 ( 1.725 1.631 6.226) 6.663 2.140 ( 2.195 2.183 6.299) 7.018 2.179 ( 2.261 2.374 5.853) 6.708 2.271 ( -0.962 -0.183 0.403) 1.059 2.303 ( 2.340 -0.366 -1.933) 3.057 2.335 ( -2.761 -1.976 -2.671) 4.320 2.373 ( -0.984 -0.770 -4.008) 4.198 2.436 ( -0.025 -0.523 3.429) 3.468 2.467 ( -0.041 -0.923 -2.295) 2.474 2.507 ( -2.145 0.573 -4.159) 4.714 2.538 ( -0.170 0.335 -2.226) 2.257 2.588 ( -0.972 0.714 0.536) 1.320 2.641 ( 1.222 -1.047 -0.925) 1.856 2.683 ( 1.512 -0.169 1.931) 2.458 2.706 ( 1.853 -0.544 1.336) 2.348 2.762 ( -0.810 -0.813 2.134) 2.423 2.776 ( -0.739 -1.063 0.836) 1.541 2.830 ( 0.607 0.391 2.272) 2.384 2.843 ( -0.289 0.159 0.163) 0.368 2.912 ( 0.132 0.271 0.972) 1.017 2.946 ( 0.379 -1.259 1.266) 1.826 3.027 ( 0.999 0.945 1.008) 1.705 3.040 ( -0.015 0.580 2.736) 2.797 3.079 ( 0.216 0.500 -1.931) 2.007 3.092 ( -1.055 0.025 -1.360) 1.721 3.134 ( -0.995 0.013 -1.087) 1.474 3.147 ( -1.348 -0.059 -0.857) 1.599 3.195 ( 1.671 0.596 1.215) 2.150 3.201 ( 0.992 0.430 0.316) 1.126 3.261 ( 2.660 -0.131 2.606) 3.726 3.263 ( 2.611 -0.385 1.385) 2.980 3.323 ( 1.463 -0.467 1.378) 2.063 3.334 ( 1.016 -0.701 2.714) 2.981 3.409 ( 0.388 0.757 -1.465) 1.694 3.420 ( 0.852 0.249 -0.023) 0.888 3.482 ( -1.001 0.013 -0.974) 1.397 3.491 ( -0.788 0.063 -0.626) 1.008 3.543 ( 0.765 0.193 1.637) 1.817 3.559 ( 0.316 -0.132 2.088) 2.115 3.602 ( -1.773 0.211 1.162) 2.130 3.614 ( -3.130 0.191 -1.339) 3.410 3.620 ( -0.917 -0.419 0.396) 1.083 3.631 ( -4.538 -0.387 -2.455) 5.174 3.761 ( -1.069 0.194 0.128) 1.094 3.774 ( -1.518 -0.333 -0.648) 1.684 3.839 ( 2.489 0.159 -0.773) 2.611 3.847 ( 1.988 -0.150 -0.642) 2.094 3.906 ( 0.539 0.032 0.922) 1.068 3.907 ( 0.975 -0.016 1.208) 1.553 3.947 ( -0.140 0.181 -0.341) 0.410 3.952 ( 0.043 -0.045 -0.177) 0.187 4.209 ( -0.527 -0.060 -1.661) 1.743 4.210 ( -0.900 -0.085 -1.225) 1.522 4.469 ( 0.856 0.883 1.423) 1.881 4.486 ( 1.387 0.228 1.325) 1.932 4.658 ( -0.765 -0.751 0.258) 1.103 4.669 ( -0.354 -1.291 0.052) 1.340 4.734 ( -1.514 0.967 -0.806) 1.969 4.738 ( -1.417 0.640 -0.957) 1.826 5.036 ( 0.674 0.019 -0.363) 0.766 5.037 ( 0.813 -0.014 -0.495) 0.952 5.177 ( 0.029 0.029 1.554) 1.554 5.183 ( -0.131 -0.217 2.475) 2.488 5.417 ( -0.977 0.156 -1.512) 1.807 5.428 ( -0.473 -0.270 -1.868) 1.946 6.026 ( -1.772 0.098 -2.463) 3.035 6.034 ( -1.366 -0.246 -3.107) 3.403 6.656 ( 0.170 0.314 1.579) 1.619 6.668 ( 0.871 -0.164 1.933) 2.126 6.691 ( 0.672 0.130 3.596) 3.660 6.699 ( 0.769 -0.211 2.957) 3.063 6.777 ( -0.313 0.284 0.065) 0.427 6.790 ( -0.846 -0.263 -0.264) 0.925 6.843 ( 1.901 0.154 2.144) 2.869 6.846 ( 1.409 0.024 1.841) 2.318 7.040 ( -0.557 0.539 -2.223) 2.355 7.065 ( 0.166 -0.499 -1.244) 1.351 7.266 ( -2.741 0.278 -4.553) 5.322 7.273 ( -1.603 -0.081 -2.862) 3.282 7.284 ( -1.115 0.231 -0.857) 1.425 7.305 ( -2.215 -0.557 -3.299) 4.013 7.418 ( 1.985 0.398 1.941) 2.805 7.439 ( 1.422 -0.454 2.281) 2.726 7.623 ( -1.049 0.119 -1.485) 1.822 7.629 ( -1.141 -0.140 -0.789) 1.394 7.992 ( -0.373 0.011 -0.599) 0.706 7.993 ( -0.732 -0.028 0.389) 0.829 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 3.873 2.951 -9.585) 10.751 0.818 ( -1.718 -0.810 -1.723) 2.565 0.882 ( -4.198 0.156 -2.965) 5.142 0.955 ( -3.832 1.403 -17.876) 18.336 1.003 ( 0.131 -3.416 -0.567) 3.465 1.013 ( -4.403 1.773 -2.121) 5.198 1.091 ( 5.282 0.094 -3.585) 6.384 1.138 ( 1.753 1.157 -1.405) 2.526 1.227 ( 1.585 -0.290 7.161) 7.340 1.277 ( 5.283 -1.531 11.008) 12.306 1.401 ( 3.348 0.475 7.495) 8.222 1.434 ( 5.326 -0.638 4.545) 7.030 1.533 ( -0.724 0.109 -3.710) 3.782 1.555 ( 1.544 -0.699 -1.879) 2.530 1.611 ( 3.528 0.089 -1.710) 3.922 1.626 ( 4.408 -0.239 1.649) 4.712 1.698 ( -1.831 -0.377 2.922) 3.469 1.708 ( -0.587 0.001 2.050) 2.132 1.829 ( 1.822 0.133 -2.351) 2.977 1.868 ( 0.697 -1.510 -3.206) 3.612 1.946 ( -4.702 2.432 -2.052) 5.678 2.047 ( -4.156 -2.168 -2.003) 5.097 2.198 ( -1.149 0.052 -1.970) 2.281 2.224 ( -1.675 -0.304 -3.896) 4.252 2.237 ( -1.112 -0.167 1.227) 1.665 2.257 ( -0.384 0.096 0.616) 0.732 2.336 ( 1.337 2.134 0.069) 2.520 2.362 ( 0.281 3.233 -0.555) 3.292 2.443 ( 0.636 0.122 -1.121) 1.294 2.463 ( 1.152 -0.009 -1.268) 1.713 2.484 ( 0.978 -1.352 2.636) 3.120 2.558 ( 0.867 -1.727 1.648) 2.539 2.592 ( 0.176 1.332 1.708) 2.173 2.643 ( -1.170 -1.620 0.015) 1.998 2.706 ( 1.051 0.497 2.011) 2.323 2.735 ( -0.602 -0.135 0.140) 0.633 2.781 ( 0.386 -0.120 1.284) 1.346 2.796 ( 0.127 -0.105 0.168) 0.236 2.839 ( 0.818 0.515 1.543) 1.821 2.862 ( 3.097 -0.567 3.450) 4.670 2.917 ( -0.570 0.097 0.906) 1.075 2.944 ( -1.364 -1.141 1.313) 2.211 3.049 ( 0.038 0.168 -0.358) 0.397 3.057 ( 0.259 -0.434 -0.212) 0.548 3.085 ( 1.057 0.250 -0.122) 1.093 3.099 ( 1.330 0.100 -0.262) 1.360 3.126 ( -0.049 0.376 1.499) 1.546 3.130 ( 1.144 0.187 2.642) 2.885 3.222 ( 1.106 0.518 -0.708) 1.411 3.236 ( 1.206 0.153 0.725) 1.416 3.298 ( 0.156 -0.530 -0.711) 0.900 3.309 ( 0.518 -0.648 -0.005) 0.830 3.362 ( 0.588 0.244 2.907) 2.976 3.371 ( 0.083 0.215 2.633) 2.643 3.391 ( -0.340 0.442 -2.355) 2.421 3.414 ( -1.894 -0.306 -3.196) 3.727 3.465 ( 0.973 0.374 1.072) 1.495 3.487 ( -0.113 -0.480 0.920) 1.043 3.515 ( -1.285 0.313 -0.098) 1.326 3.531 ( -1.768 -0.115 1.002) 2.036 3.572 ( 0.152 0.627 0.307) 0.714 3.602 ( -0.389 0.305 1.256) 1.350 3.610 ( 0.186 -0.374 1.921) 1.966 3.635 ( -0.171 -0.719 1.427) 1.607 3.713 ( -2.163 0.092 -2.916) 3.632 3.717 ( -2.610 -0.092 -2.816) 3.841 3.860 ( 0.406 0.063 -1.122) 1.195 3.864 ( 0.601 -0.110 -1.135) 1.289 3.927 ( 0.786 0.208 1.119) 1.383 3.935 ( 0.763 -0.139 0.945) 1.223 3.942 ( 0.010 0.162 -0.359) 0.394 3.948 ( -0.258 -0.080 -0.260) 0.375 4.191 ( -0.343 -0.062 -0.336) 0.484 4.193 ( -0.069 -0.175 -0.943) 0.961 4.501 ( 1.082 0.942 1.716) 2.237 4.518 ( 1.052 0.296 0.651) 1.272 4.649 ( -0.450 -0.536 0.586) 0.913 4.659 ( -0.321 -1.022 -0.476) 1.172 4.696 ( -1.940 0.604 -0.295) 2.053 4.697 ( -1.686 0.387 -1.384) 2.216 5.046 ( 0.741 0.059 -0.484) 0.887 5.048 ( 0.775 -0.026 -0.609) 0.986 5.195 ( 0.369 0.025 1.873) 1.910 5.201 ( -0.332 -0.228 3.118) 3.144 5.385 ( -0.872 0.152 -1.922) 2.116 5.396 ( -0.939 -0.285 -2.596) 2.775 5.977 ( -1.317 0.104 -2.000) 2.397 5.982 ( -1.369 -0.136 -2.623) 2.962 6.675 ( 0.406 0.240 1.682) 1.746 6.693 ( 0.222 -0.532 1.190) 1.323 6.730 ( 0.396 0.356 2.070) 2.138 6.739 ( 0.824 0.118 2.790) 2.912 6.785 ( 0.252 0.236 1.762) 1.796 6.797 ( 1.316 -0.297 2.668) 2.990 6.890 ( 1.352 0.168 2.214) 2.600 6.896 ( 1.616 -0.070 2.296) 2.809 7.014 ( 0.014 0.797 -2.053) 2.203 7.048 ( -0.558 -0.604 -1.791) 1.971 7.173 ( -2.797 0.153 -5.080) 5.801 7.185 ( -3.189 -0.335 -5.592) 6.446 7.263 ( -0.786 0.052 -0.502) 0.934 7.268 ( -0.886 -0.133 -1.058) 1.386 7.458 ( 1.267 0.199 0.841) 1.534 7.469 ( 0.541 -0.257 1.148) 1.295 7.591 ( -0.921 0.116 -1.460) 1.730 7.597 ( -1.365 -0.145 -0.832) 1.605 7.980 ( -0.299 0.016 -0.621) 0.689 7.982 ( -0.752 -0.037 0.427) 0.866 ======================= Grid point 107 (56/60) ======================= q-point: ( 0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.170 3.370 -4.333) 8.258 0.728 ( -6.170 3.370 4.333) 8.258 0.818 ( 0.187 -0.673 -3.734) 3.799 0.818 ( -0.187 -0.673 3.734) 3.799 0.975 ( 0.197 -2.994 -1.063) 3.183 0.975 ( -0.197 -2.994 1.063) 3.183 1.158 ( -1.005 2.240 -1.179) 2.723 1.158 ( 1.005 2.240 1.179) 2.723 1.347 ( -3.495 0.499 -2.187) 4.153 1.347 ( 3.495 0.499 2.187) 4.153 1.494 ( -0.257 -0.862 -5.364) 5.439 1.494 ( 0.257 -0.862 5.364) 5.439 1.530 ( -1.499 0.331 -4.282) 4.549 1.530 ( 1.499 0.331 4.282) 4.549 1.622 ( -3.103 -1.723 -1.053) 3.702 1.622 ( 3.103 -1.723 1.053) 3.702 1.743 ( -0.950 0.457 0.038) 1.055 1.743 ( 0.950 0.457 -0.038) 1.055 1.861 ( -1.311 0.062 0.172) 1.323 1.861 ( 1.311 0.062 -0.172) 1.323 1.906 ( -4.324 -1.188 -5.215) 6.878 1.906 ( 4.324 -1.188 5.215) 6.878 2.182 ( -0.429 -0.361 -1.984) 2.062 2.182 ( 0.429 -0.361 1.984) 2.062 2.241 ( -0.301 -0.405 -1.301) 1.396 2.241 ( 0.301 -0.405 1.301) 1.396 2.351 ( -0.090 3.449 -0.971) 3.584 2.351 ( 0.090 3.449 0.971) 3.584 2.463 ( 1.126 0.204 -2.140) 2.426 2.463 ( -1.126 0.204 2.140) 2.426 2.539 ( -2.705 -2.481 -0.624) 3.723 2.539 ( 2.705 -2.481 0.624) 3.723 2.622 ( -1.347 1.152 -1.236) 2.161 2.622 ( 1.347 1.152 1.236) 2.161 2.723 ( 0.587 0.436 -1.168) 1.378 2.723 ( -0.587 0.436 1.168) 1.378 2.783 ( -1.113 -0.481 -0.572) 1.341 2.783 ( 1.113 -0.481 0.572) 1.341 2.901 ( -0.219 0.339 -0.543) 0.677 2.901 ( 0.219 0.339 0.543) 0.677 2.926 ( 2.455 -0.791 -2.890) 3.874 2.926 ( -2.455 -0.791 2.890) 3.874 3.047 ( -0.115 -0.454 -0.687) 0.832 3.047 ( 0.115 -0.454 0.687) 0.832 3.101 ( -0.411 -0.005 -0.602) 0.729 3.101 ( 0.411 -0.005 0.602) 0.729 3.167 ( -0.749 0.631 -1.823) 2.069 3.167 ( 0.749 0.631 1.823) 2.069 3.231 ( -1.354 -0.129 -1.555) 2.066 3.231 ( 1.354 -0.129 1.555) 2.066 3.281 ( -0.507 -0.040 -0.197) 0.545 3.281 ( 0.507 -0.040 0.197) 0.545 3.379 ( 1.780 0.015 -3.037) 3.520 3.379 ( -1.780 0.015 3.037) 3.520 3.383 ( 1.231 -0.041 -1.899) 2.264 3.383 ( -1.231 -0.041 1.899) 2.264 3.487 ( -0.034 -0.351 -0.621) 0.714 3.487 ( 0.034 -0.351 0.621) 0.714 3.533 ( -0.992 0.833 -0.242) 1.318 3.533 ( 0.992 0.833 0.242) 1.318 3.584 ( -1.889 -0.496 -0.574) 2.035 3.584 ( 1.889 -0.496 0.574) 2.035 3.622 ( -0.788 0.034 -1.302) 1.522 3.622 ( 0.788 0.034 1.302) 1.522 3.677 ( 0.046 -0.030 -0.120) 0.132 3.677 ( -0.046 -0.030 0.120) 0.132 3.859 ( -0.167 -0.018 -0.103) 0.197 3.859 ( 0.167 -0.018 0.103) 0.197 3.942 ( 0.001 0.022 -0.408) 0.409 3.942 ( -0.001 0.022 0.408) 0.409 3.944 ( 0.040 0.027 -0.645) 0.647 3.944 ( -0.040 0.027 0.645) 0.647 4.189 ( 0.043 -0.130 -0.395) 0.418 4.189 ( -0.043 -0.130 0.395) 0.418 4.526 ( -0.234 0.668 -0.931) 1.170 4.526 ( 0.234 0.668 0.931) 1.170 4.653 ( 0.483 -0.503 -1.938) 2.060 4.653 ( -0.483 -0.503 1.938) 2.060 4.671 ( 0.351 0.174 -0.884) 0.967 4.671 ( -0.351 0.174 0.884) 0.967 5.052 ( -0.065 0.026 -0.048) 0.085 5.052 ( 0.065 0.026 0.048) 0.085 5.210 ( 0.528 -0.117 -0.793) 0.960 5.210 ( -0.528 -0.117 0.793) 0.960 5.370 ( -0.150 -0.068 -0.487) 0.515 5.370 ( 0.150 -0.068 0.487) 0.515 5.957 ( -0.032 0.012 -0.292) 0.294 5.957 ( 0.032 0.012 0.292) 0.294 6.692 ( -0.435 -0.293 -0.512) 0.734 6.692 ( 0.435 -0.293 0.512) 0.734 6.745 ( -0.421 0.402 -0.283) 0.647 6.745 ( 0.421 0.402 0.283) 0.647 6.821 ( -0.686 0.124 -1.162) 1.355 6.821 ( 0.686 0.124 1.162) 1.355 6.913 ( -0.476 -0.094 -0.398) 0.628 6.913 ( 0.476 -0.094 0.398) 0.628 7.030 ( -0.926 0.188 -1.172) 1.505 7.030 ( 0.926 0.188 1.172) 1.505 7.116 ( 0.172 -0.256 -0.142) 0.340 7.116 ( -0.172 -0.256 0.142) 0.340 7.254 ( -0.004 -0.015 -0.235) 0.235 7.254 ( 0.004 -0.015 0.235) 0.235 7.476 ( 0.367 -0.023 -0.173) 0.407 7.476 ( -0.367 -0.023 0.173) 0.407 7.577 ( 0.334 -0.024 -0.281) 0.438 7.577 ( -0.334 -0.024 0.281) 0.438 7.975 ( 0.264 -0.010 -0.533) 0.595 7.975 ( -0.264 -0.010 0.533) 0.595 ======================= Grid point 111 (57/60) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 0.000 0.000) 0.000 0.743 ( 0.000 0.000 0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.879 ( -0.000 0.000 -0.000) 0.000 0.879 ( -0.000 0.000 -0.000) 0.000 1.152 ( -0.000 0.000 0.000) 0.000 1.152 ( -0.000 0.000 0.000) 0.000 1.349 ( -0.000 -0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.378 ( -0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.503 ( -0.000 0.000 0.000) 0.000 1.503 ( -0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.774 ( -0.000 0.000 -0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.799 ( -0.000 0.000 -0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 1.914 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 -0.000) 0.000 2.202 ( -0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 -0.000) 0.000 2.271 ( -0.000 0.000 0.000) 0.000 2.336 ( 0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 0.000) 0.000 2.637 ( -0.000 0.000 -0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.644 ( -0.000 -0.000 -0.000) 0.000 2.644 ( 0.000 -0.000 0.000) 0.000 2.790 ( -0.000 -0.000 -0.000) 0.000 2.790 ( -0.000 0.000 0.000) 0.000 2.792 ( 0.000 -0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 2.919 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.163 ( -0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 0.000 0.000) 0.000 3.195 ( 0.000 -0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.415 ( 0.000 0.000 0.000) 0.000 3.512 ( -0.000 0.000 -0.000) 0.000 3.512 ( 0.000 -0.000 0.000) 0.000 3.518 ( -0.000 -0.000 -0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.728 ( -0.000 0.000 -0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.735 ( -0.000 -0.000 -0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.823 ( -0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.951 ( -0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.657 ( -0.000 0.000 0.000) 0.000 4.764 ( -0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 5.030 ( -0.000 0.000 0.000) 0.000 5.030 ( -0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.675 ( 0.000 0.000 0.000) 0.000 6.801 ( -0.000 0.000 -0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.812 ( -0.000 0.000 -0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.363 ( -0.000 0.000 -0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.373 ( -0.000 -0.000 -0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.999 ( -0.000 0.000 0.000) 0.000 7.999 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 115 (58/60) ======================= q-point: ( 0.17 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 2.245 -3.134 -7.946) 8.832 0.766 ( 2.245 3.134 -7.946) 8.832 0.867 ( 7.152 -1.249 0.096) 7.261 0.867 ( 7.152 1.249 0.096) 7.261 1.013 ( 4.866 -2.093 8.863) 10.325 1.013 ( 4.866 2.093 8.863) 10.325 1.160 ( -1.554 -1.970 -3.231) 4.091 1.160 ( -1.554 1.970 -3.231) 4.091 1.233 ( -5.243 -2.175 2.696) 6.284 1.233 ( -5.243 2.175 2.696) 6.284 1.406 ( -6.473 -0.770 -11.284) 13.031 1.406 ( -6.473 0.770 -11.284) 13.031 1.506 ( 4.330 -1.134 -0.415) 4.496 1.506 ( 4.330 1.134 -0.415) 4.496 1.536 ( 3.770 -0.541 -0.731) 3.878 1.536 ( 3.770 0.541 -0.731) 3.878 1.723 ( -1.436 -0.678 0.174) 1.597 1.723 ( -1.436 0.678 0.174) 1.597 1.849 ( 0.044 -1.384 -1.952) 2.393 1.849 ( 0.044 1.384 -1.952) 2.393 2.041 ( 2.159 -1.469 6.264) 6.786 2.041 ( 2.159 1.469 6.264) 6.786 2.194 ( -0.245 -1.796 5.510) 5.801 2.194 ( -0.245 1.796 5.510) 5.801 2.277 ( -0.415 -1.352 -1.812) 2.299 2.277 ( -0.415 1.352 -1.812) 2.299 2.338 ( 1.286 -2.103 -1.294) 2.784 2.338 ( 1.286 2.103 -1.294) 2.784 2.444 ( -0.015 -1.198 0.329) 1.242 2.444 ( -0.015 1.198 0.329) 1.242 2.528 ( -1.527 -1.188 -3.321) 3.843 2.528 ( -1.527 1.188 -3.321) 3.843 2.610 ( -0.221 -1.624 -0.454) 1.701 2.610 ( -0.221 1.624 -0.454) 1.701 2.692 ( 2.133 -0.817 1.046) 2.513 2.692 ( 2.133 0.817 1.046) 2.513 2.759 ( -0.641 -0.519 1.593) 1.794 2.759 ( -0.641 0.519 1.593) 1.794 2.839 ( 0.493 -0.488 1.596) 1.740 2.839 ( 0.493 0.488 1.596) 1.740 2.924 ( 0.015 -0.940 1.056) 1.414 2.924 ( 0.015 0.940 1.056) 1.414 3.042 ( 0.103 -0.433 1.866) 1.918 3.042 ( 0.103 0.433 1.866) 1.918 3.088 ( -0.307 -0.402 -1.819) 1.888 3.088 ( -0.307 0.402 -1.819) 1.888 3.140 ( -1.283 -0.510 -0.994) 1.701 3.140 ( -1.283 0.510 -0.994) 1.701 3.205 ( 1.294 -0.187 0.526) 1.409 3.205 ( 1.294 0.187 0.526) 1.409 3.258 ( 2.551 -0.105 1.740) 3.090 3.258 ( 2.551 0.105 1.740) 3.090 3.322 ( 1.399 -0.375 2.595) 2.972 3.322 ( 1.399 0.375 2.595) 2.972 3.420 ( 0.635 -0.328 -0.741) 1.030 3.420 ( 0.635 0.328 -0.741) 1.030 3.487 ( -0.821 -0.389 -0.981) 1.338 3.487 ( -0.821 0.389 -0.981) 1.338 3.551 ( 0.508 -0.580 2.339) 2.463 3.551 ( 0.508 0.580 2.339) 2.463 3.609 ( -0.706 -0.552 0.851) 1.236 3.609 ( -0.706 0.552 0.851) 1.236 3.622 ( -4.504 -0.528 -2.274) 5.073 3.622 ( -4.504 0.528 -2.274) 5.073 3.767 ( -1.263 -0.407 -0.328) 1.366 3.767 ( -1.263 0.407 -0.328) 1.366 3.843 ( 2.269 -0.246 -0.718) 2.393 3.843 ( 2.269 0.246 -0.718) 2.393 3.907 ( 0.724 -0.021 1.131) 1.343 3.907 ( 0.724 0.021 1.131) 1.343 3.950 ( -0.046 -0.154 -0.291) 0.332 3.950 ( -0.046 0.154 -0.291) 0.332 4.208 ( -0.751 -0.030 -1.451) 1.634 4.208 ( -0.751 0.030 -1.451) 1.634 4.485 ( 1.116 -0.510 1.482) 1.924 4.485 ( 1.116 0.510 1.482) 1.924 4.652 ( -0.368 -0.285 -0.122) 0.481 4.652 ( -0.368 0.285 -0.122) 0.481 4.744 ( -1.660 -0.057 -0.706) 1.805 4.744 ( -1.660 0.057 -0.706) 1.805 5.036 ( 0.750 -0.032 -0.418) 0.860 5.036 ( 0.750 0.032 -0.418) 0.860 5.179 ( -0.051 -0.180 2.020) 2.028 5.179 ( -0.051 0.180 2.020) 2.028 5.422 ( -0.732 -0.303 -1.683) 1.861 5.422 ( -0.732 0.303 -1.683) 1.861 6.029 ( -1.545 -0.240 -2.758) 3.170 6.029 ( -1.545 0.240 -2.758) 3.170 6.663 ( 0.542 -0.321 1.675) 1.789 6.663 ( 0.542 0.321 1.675) 1.789 6.694 ( 0.695 -0.267 3.368) 3.449 6.694 ( 0.695 0.267 3.368) 3.449 6.784 ( -0.609 -0.388 -0.105) 0.729 6.784 ( -0.609 0.388 -0.105) 0.729 6.846 ( 1.675 -0.123 1.990) 2.604 6.846 ( 1.675 0.123 1.990) 2.604 7.053 ( -0.163 -0.741 -1.721) 1.881 7.053 ( -0.163 0.741 -1.721) 1.881 7.271 ( -2.065 -0.166 -3.572) 4.130 7.271 ( -2.065 0.166 -3.572) 4.130 7.293 ( -1.794 -0.623 -2.220) 2.922 7.293 ( -1.794 0.623 -2.220) 2.922 7.428 ( 1.702 -0.609 2.110) 2.778 7.428 ( 1.702 0.609 2.110) 2.778 7.626 ( -1.101 -0.184 -1.121) 1.582 7.626 ( -1.101 0.184 -1.121) 1.582 7.993 ( -0.552 -0.027 -0.112) 0.564 7.993 ( -0.552 0.027 -0.112) 0.564 ======================= Grid point 117 (59/60) ======================= q-point: ( 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 3.041 -4.387 -6.152) 8.145 0.757 ( 3.041 4.387 -6.152) 8.145 0.926 ( -5.098 -3.342 -3.288) 6.926 0.926 ( -5.098 3.342 -3.288) 6.926 1.004 ( -3.072 -2.115 -12.252) 12.807 1.004 ( -3.072 2.115 -12.252) 12.807 1.123 ( 2.917 -2.437 2.926) 4.796 1.123 ( 2.917 2.437 2.926) 4.796 1.243 ( 4.793 -1.752 9.300) 10.609 1.243 ( 4.793 1.752 9.300) 10.609 1.416 ( 4.286 -1.039 5.512) 7.060 1.416 ( 4.286 1.039 5.512) 7.060 1.540 ( -0.056 -0.706 -2.416) 2.517 1.540 ( -0.056 0.706 -2.416) 2.517 1.616 ( 3.755 -0.493 -0.116) 3.789 1.616 ( 3.755 0.493 -0.116) 3.789 1.702 ( -1.356 -0.568 2.054) 2.526 1.702 ( -1.356 0.568 2.054) 2.526 1.842 ( 2.013 -1.184 -3.176) 3.942 1.842 ( 2.013 1.184 -3.176) 3.942 1.996 ( -5.275 -2.870 -2.658) 6.567 1.996 ( -5.275 2.870 -2.658) 6.567 2.209 ( -2.019 -0.977 -2.707) 3.515 2.209 ( -2.019 0.977 -2.707) 3.515 2.247 ( -0.494 -0.885 0.610) 1.183 2.247 ( -0.494 0.885 0.610) 1.183 2.382 ( 1.876 -1.855 1.297) 2.940 2.382 ( 1.876 1.855 1.297) 2.940 2.452 ( 1.526 -0.927 -1.252) 2.181 2.452 ( 1.526 0.927 -1.252) 2.181 2.502 ( -0.843 -3.297 1.194) 3.606 2.502 ( -0.843 3.297 1.194) 3.606 2.618 ( 0.562 -1.277 1.378) 1.961 2.618 ( 0.562 1.277 1.378) 1.961 2.722 ( 0.676 -1.024 0.694) 1.409 2.722 ( 0.676 1.024 0.694) 1.409 2.788 ( -0.108 -0.629 1.180) 1.341 2.788 ( -0.108 0.629 1.180) 1.341 2.850 ( 2.041 -0.606 1.936) 2.878 2.850 ( 2.041 0.606 1.936) 2.878 2.924 ( -1.062 -0.758 1.439) 1.942 2.924 ( -1.062 0.758 1.439) 1.942 3.051 ( -0.234 -0.187 -0.318) 0.437 3.051 ( -0.234 0.187 -0.318) 0.437 3.094 ( 1.076 -0.524 -0.673) 1.374 3.094 ( 1.076 0.524 -0.673) 1.374 3.132 ( 0.820 -0.125 2.431) 2.569 3.132 ( 0.820 0.125 2.431) 2.569 3.233 ( 1.095 -0.499 -0.269) 1.233 3.233 ( 1.095 0.499 -0.269) 1.233 3.297 ( 0.449 -0.443 -0.311) 0.704 3.297 ( 0.449 0.443 -0.311) 0.704 3.368 ( 0.335 -0.357 3.832) 3.863 3.368 ( 0.335 0.357 3.832) 3.863 3.404 ( -1.161 -0.709 -3.582) 3.832 3.404 ( -1.161 0.709 -3.582) 3.832 3.475 ( 0.173 -0.656 0.725) 0.993 3.475 ( 0.173 0.656 0.725) 0.993 3.524 ( -1.213 -0.561 0.568) 1.452 3.524 ( -1.213 0.561 0.568) 1.452 3.589 ( -0.286 -1.064 0.773) 1.346 3.589 ( -0.286 1.064 0.773) 1.346 3.619 ( 0.039 -0.841 1.779) 1.968 3.619 ( 0.039 0.841 1.779) 1.968 3.715 ( -2.328 -0.132 -2.883) 3.708 3.715 ( -2.328 0.132 -2.883) 3.708 3.862 ( 0.502 -0.116 -1.156) 1.265 3.862 ( 0.502 0.116 -1.156) 1.265 3.932 ( 0.777 -0.241 1.037) 1.318 3.932 ( 0.777 0.241 1.037) 1.318 3.946 ( -0.141 -0.169 -0.310) 0.380 3.946 ( -0.141 0.169 -0.310) 0.380 4.190 ( -0.221 -0.078 -0.644) 0.685 4.190 ( -0.221 0.078 -0.644) 0.685 4.517 ( 1.048 -0.529 1.357) 1.794 4.517 ( 1.048 0.529 1.357) 1.794 4.645 ( -0.051 -0.300 -0.304) 0.430 4.645 ( -0.051 0.300 -0.304) 0.430 4.702 ( -2.128 -0.030 -0.646) 2.224 4.702 ( -2.128 0.030 -0.646) 2.224 5.047 ( 0.766 -0.061 -0.544) 0.941 5.047 ( 0.766 0.061 -0.544) 0.941 5.197 ( 0.003 -0.194 2.503) 2.511 5.197 ( 0.003 0.194 2.503) 2.511 5.390 ( -0.911 -0.309 -2.257) 2.454 5.390 ( -0.911 0.309 -2.257) 2.454 5.979 ( -1.322 -0.167 -2.281) 2.641 5.979 ( -1.322 0.167 -2.281) 2.641 6.682 ( 0.185 -0.521 1.341) 1.451 6.682 ( 0.185 0.521 1.341) 1.451 6.737 ( 0.723 -0.291 2.494) 2.613 6.737 ( 0.723 0.291 2.494) 2.613 6.791 ( 0.853 -0.376 2.287) 2.469 6.791 ( 0.853 0.376 2.287) 2.469 6.894 ( 1.438 -0.182 2.203) 2.637 6.894 ( 1.438 0.182 2.203) 2.637 7.032 ( -0.241 -1.015 -1.868) 2.140 7.032 ( -0.241 1.015 -1.868) 2.140 7.178 ( -3.076 -0.316 -5.403) 6.226 7.178 ( -3.076 0.316 -5.403) 6.226 7.265 ( -0.808 -0.129 -0.755) 1.114 7.265 ( -0.808 0.129 -0.755) 1.114 7.464 ( 0.905 -0.324 1.000) 1.387 7.464 ( 0.905 0.324 1.000) 1.387 7.594 ( -1.152 -0.185 -1.140) 1.632 7.594 ( -1.152 0.185 -1.140) 1.632 7.981 ( -0.523 -0.036 -0.105) 0.534 7.981 ( -0.523 0.036 -0.105) 0.534 ======================= Grid point 119 (60/60) ======================= q-point: ( 0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -0.000 -0.000 -0.000) 0.000 0.791 ( 0.000 0.000 -0.000) 0.000 0.793 ( 0.000 -0.000 0.000) 0.000 0.793 ( -0.000 0.000 0.000) 0.000 0.935 ( -0.000 0.000 -0.000) 0.000 0.935 ( -0.000 0.000 0.000) 0.000 1.185 ( -0.000 0.000 0.000) 0.000 1.185 ( -0.000 0.000 0.000) 0.000 1.354 ( -0.000 0.000 0.000) 0.000 1.354 ( -0.000 0.000 0.000) 0.000 1.483 ( -0.000 0.000 -0.000) 0.000 1.483 ( -0.000 0.000 0.000) 0.000 1.534 ( -0.000 0.000 -0.000) 0.000 1.534 ( -0.000 0.000 -0.000) 0.000 1.601 ( -0.000 0.000 0.000) 0.000 1.601 ( -0.000 0.000 0.000) 0.000 1.747 ( -0.000 0.000 -0.000) 0.000 1.747 ( -0.000 0.000 0.000) 0.000 1.861 ( -0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 0.000) 0.000 1.893 ( -0.000 0.000 -0.000) 0.000 1.893 ( 0.000 0.000 -0.000) 0.000 2.179 ( -0.000 0.000 -0.000) 0.000 2.179 ( -0.000 0.000 0.000) 0.000 2.236 ( -0.000 0.000 -0.000) 0.000 2.236 ( -0.000 0.000 0.000) 0.000 2.396 ( -0.000 -0.000 0.000) 0.000 2.396 ( -0.000 0.000 0.000) 0.000 2.484 ( -0.000 -0.000 0.000) 0.000 2.484 ( -0.000 0.000 0.000) 0.000 2.486 ( 0.000 -0.000 -0.000) 0.000 2.486 ( -0.000 0.000 -0.000) 0.000 2.637 ( -0.000 0.000 -0.000) 0.000 2.637 ( -0.000 0.000 0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 2.728 ( -0.000 0.000 0.000) 0.000 2.777 ( -0.000 0.000 -0.000) 0.000 2.777 ( -0.000 0.000 0.000) 0.000 2.906 ( -0.000 -0.000 0.000) 0.000 2.906 ( -0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 -0.000) 0.000 2.915 ( 0.000 0.000 -0.000) 0.000 3.041 ( -0.000 0.000 -0.000) 0.000 3.041 ( -0.000 0.000 0.000) 0.000 3.101 ( -0.000 0.000 0.000) 0.000 3.101 ( -0.000 0.000 0.000) 0.000 3.174 ( -0.000 0.000 -0.000) 0.000 3.174 ( -0.000 0.000 0.000) 0.000 3.229 ( -0.000 0.000 -0.000) 0.000 3.229 ( -0.000 0.000 0.000) 0.000 3.280 ( -0.000 0.000 -0.000) 0.000 3.280 ( -0.000 0.000 0.000) 0.000 3.378 ( -0.000 0.000 0.000) 0.000 3.378 ( -0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 -0.000) 0.000 3.383 ( 0.000 0.000 -0.000) 0.000 3.483 ( -0.000 0.000 -0.000) 0.000 3.483 ( -0.000 0.000 0.000) 0.000 3.544 ( -0.000 0.000 -0.000) 0.000 3.544 ( -0.000 0.000 -0.000) 0.000 3.577 ( -0.000 0.000 0.000) 0.000 3.577 ( -0.000 0.000 0.000) 0.000 3.622 ( -0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.677 ( -0.000 0.000 -0.000) 0.000 3.677 ( -0.000 0.000 0.000) 0.000 3.859 ( -0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.942 ( 0.000 0.000 -0.000) 0.000 3.942 ( -0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 -0.000) 0.000 3.944 ( -0.000 0.000 0.000) 0.000 4.187 ( -0.000 0.000 0.000) 0.000 4.187 ( -0.000 0.000 0.000) 0.000 4.534 ( -0.000 0.000 0.000) 0.000 4.534 ( -0.000 0.000 0.000) 0.000 4.647 ( -0.000 0.000 -0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.673 ( -0.000 0.000 -0.000) 0.000 4.673 ( -0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 -0.000) 0.000 5.053 ( -0.000 0.000 0.000) 0.000 5.209 ( -0.000 0.000 0.000) 0.000 5.209 ( -0.000 0.000 0.000) 0.000 5.369 ( -0.000 0.000 -0.000) 0.000 5.369 ( -0.000 0.000 0.000) 0.000 5.958 ( -0.000 0.000 -0.000) 0.000 5.958 ( -0.000 0.000 0.000) 0.000 6.689 ( -0.000 0.000 0.000) 0.000 6.689 ( -0.000 0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.750 ( -0.000 0.000 0.000) 0.000 6.822 ( -0.000 0.000 0.000) 0.000 6.822 ( -0.000 0.000 0.000) 0.000 6.912 ( -0.000 0.000 -0.000) 0.000 6.912 ( -0.000 0.000 0.000) 0.000 7.032 ( -0.000 0.000 0.000) 0.000 7.032 ( -0.000 0.000 0.000) 0.000 7.113 ( -0.000 0.000 -0.000) 0.000 7.113 ( -0.000 0.000 0.000) 0.000 7.254 ( -0.000 0.000 -0.000) 0.000 7.254 ( -0.000 0.000 0.000) 0.000 7.476 ( -0.000 0.000 0.000) 0.000 7.476 ( -0.000 0.000 0.000) 0.000 7.577 ( -0.000 0.000 0.000) 0.000 7.577 ( -0.000 0.000 0.000) 0.000 7.975 ( -0.000 0.000 0.000) 0.000 7.975 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/15552 10.0 50.306 24.575 63.167 0.000 8.256 0.000 3/15552 20.0 18.387 7.079 23.394 0.000 5.598 0.000 3/15552 30.0 10.376 3.724 13.475 0.000 3.643 0.000 3/15552 40.0 7.102 2.483 9.325 0.000 2.627 0.000 3/15552 50.0 5.384 1.861 7.112 0.000 2.039 0.000 3/15552 60.0 4.337 1.491 5.749 0.000 1.663 0.000 3/15552 70.0 3.635 1.245 4.829 0.000 1.404 0.000 3/15552 80.0 3.131 1.071 4.167 0.000 1.216 0.000 3/15552 90.0 2.753 0.940 3.667 0.000 1.073 0.000 3/15552 100.0 2.457 0.838 3.276 0.000 0.961 0.000 3/15552 110.0 2.220 0.757 2.962 0.000 0.870 0.000 3/15552 120.0 2.026 0.690 2.704 0.000 0.795 0.000 3/15552 130.0 1.863 0.634 2.488 0.000 0.733 0.000 3/15552 140.0 1.725 0.587 2.305 0.000 0.679 0.000 3/15552 150.0 1.606 0.547 2.147 0.000 0.633 0.000 3/15552 160.0 1.503 0.511 2.010 0.000 0.593 0.000 3/15552 170.0 1.412 0.480 1.889 0.000 0.558 0.000 3/15552 180.0 1.332 0.453 1.782 0.000 0.527 0.000 3/15552 190.0 1.261 0.429 1.687 0.000 0.499 0.000 3/15552 200.0 1.197 0.407 1.602 0.000 0.474 0.000 3/15552 210.0 1.139 0.387 1.524 0.000 0.451 0.000 3/15552 220.0 1.086 0.369 1.454 0.000 0.430 0.000 3/15552 230.0 1.038 0.353 1.391 0.000 0.412 0.000 3/15552 240.0 0.995 0.338 1.332 0.000 0.394 0.000 3/15552 250.0 0.955 0.324 1.279 0.000 0.379 0.000 3/15552 260.0 0.918 0.312 1.229 0.000 0.364 0.000 3/15552 270.0 0.883 0.300 1.183 0.000 0.351 0.000 3/15552 280.0 0.852 0.289 1.141 0.000 0.338 0.000 3/15552 290.0 0.822 0.279 1.101 0.000 0.326 0.000 3/15552 300.0 0.794 0.270 1.065 0.000 0.316 0.000 3/15552 310.0 0.769 0.261 1.030 0.000 0.305 0.000 3/15552 320.0 0.745 0.253 0.998 0.000 0.296 0.000 3/15552 330.0 0.722 0.245 0.968 0.000 0.287 0.000 3/15552 340.0 0.701 0.238 0.939 0.000 0.278 0.000 3/15552 350.0 0.680 0.231 0.912 0.000 0.271 0.000 3/15552 360.0 0.662 0.225 0.887 0.000 0.263 0.000 3/15552 370.0 0.644 0.218 0.863 0.000 0.256 0.000 3/15552 380.0 0.627 0.213 0.840 0.000 0.249 0.000 3/15552 390.0 0.610 0.207 0.818 0.000 0.243 0.000 3/15552 400.0 0.595 0.202 0.798 0.000 0.237 0.000 3/15552 410.0 0.581 0.197 0.779 0.000 0.231 0.000 3/15552 420.0 0.567 0.192 0.760 0.000 0.225 0.000 3/15552 430.0 0.554 0.188 0.742 0.000 0.220 0.000 3/15552 440.0 0.541 0.184 0.725 0.000 0.215 0.000 3/15552 450.0 0.529 0.180 0.709 0.000 0.210 0.000 3/15552 460.0 0.517 0.176 0.694 0.000 0.206 0.000 3/15552 470.0 0.506 0.172 0.679 0.000 0.202 0.000 3/15552 480.0 0.496 0.168 0.665 0.000 0.197 0.000 3/15552 490.0 0.486 0.165 0.651 0.000 0.193 0.000 3/15552 500.0 0.476 0.162 0.638 0.000 0.189 0.000 3/15552 510.0 0.467 0.158 0.626 0.000 0.186 0.000 3/15552 520.0 0.458 0.155 0.614 0.000 0.182 0.000 3/15552 530.0 0.449 0.152 0.602 0.000 0.179 0.000 3/15552 540.0 0.441 0.150 0.591 0.000 0.175 0.000 3/15552 550.0 0.433 0.147 0.580 0.000 0.172 0.000 3/15552 560.0 0.425 0.144 0.570 0.000 0.169 0.000 3/15552 570.0 0.418 0.142 0.560 0.000 0.166 0.000 3/15552 580.0 0.410 0.139 0.550 0.000 0.163 0.000 3/15552 590.0 0.403 0.137 0.541 0.000 0.161 0.000 3/15552 600.0 0.397 0.135 0.532 0.000 0.158 0.000 3/15552 610.0 0.390 0.132 0.523 0.000 0.155 0.000 3/15552 620.0 0.384 0.130 0.515 0.000 0.153 0.000 3/15552 630.0 0.378 0.128 0.507 0.000 0.150 0.000 3/15552 640.0 0.372 0.126 0.499 0.000 0.148 0.000 3/15552 650.0 0.366 0.124 0.491 0.000 0.146 0.000 3/15552 660.0 0.361 0.122 0.484 0.000 0.144 0.000 3/15552 670.0 0.355 0.121 0.477 0.000 0.142 0.000 3/15552 680.0 0.350 0.119 0.470 0.000 0.139 0.000 3/15552 690.0 0.345 0.117 0.463 0.000 0.137 0.000 3/15552 700.0 0.340 0.115 0.456 0.000 0.135 0.000 3/15552 710.0 0.335 0.114 0.450 0.000 0.134 0.000 3/15552 720.0 0.331 0.112 0.443 0.000 0.132 0.000 3/15552 730.0 0.326 0.111 0.437 0.000 0.130 0.000 3/15552 740.0 0.322 0.109 0.432 0.000 0.128 0.000 3/15552 750.0 0.317 0.108 0.426 0.000 0.126 0.000 3/15552 760.0 0.313 0.106 0.420 0.000 0.125 0.000 3/15552 770.0 0.309 0.105 0.415 0.000 0.123 0.000 3/15552 780.0 0.305 0.104 0.409 0.000 0.122 0.000 3/15552 790.0 0.301 0.102 0.404 0.000 0.120 0.000 3/15552 800.0 0.298 0.101 0.399 0.000 0.119 0.000 3/15552 810.0 0.294 0.100 0.394 0.000 0.117 0.000 3/15552 820.0 0.290 0.098 0.389 0.000 0.116 0.000 3/15552 830.0 0.287 0.097 0.385 0.000 0.114 0.000 3/15552 840.0 0.283 0.096 0.380 0.000 0.113 0.000 3/15552 850.0 0.280 0.095 0.376 0.000 0.112 0.000 3/15552 860.0 0.277 0.094 0.371 0.000 0.110 0.000 3/15552 870.0 0.274 0.093 0.367 0.000 0.109 0.000 3/15552 880.0 0.271 0.092 0.363 0.000 0.108 0.000 3/15552 890.0 0.267 0.091 0.359 0.000 0.107 0.000 3/15552 900.0 0.265 0.090 0.355 0.000 0.105 0.000 3/15552 910.0 0.262 0.089 0.351 0.000 0.104 0.000 3/15552 920.0 0.259 0.088 0.347 0.000 0.103 0.000 3/15552 930.0 0.256 0.087 0.343 0.000 0.102 0.000 3/15552 940.0 0.253 0.086 0.340 0.000 0.101 0.000 3/15552 950.0 0.251 0.085 0.336 0.000 0.100 0.000 3/15552 960.0 0.248 0.084 0.333 0.000 0.099 0.000 3/15552 970.0 0.245 0.083 0.329 0.000 0.098 0.000 3/15552 980.0 0.243 0.082 0.326 0.000 0.097 0.000 3/15552 990.0 0.240 0.082 0.323 0.000 0.096 0.000 3/15552 1000.0 0.238 0.081 0.319 0.000 0.095 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m646.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:47:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|