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[ Last edited by yjcmwgk on 2011-6-12 at 09:31 ]
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gmy1990(½ð±Ò+3): ·Ç³£¸ÐлÄã¶ÔÂÛ̳µÄ¹±Ï×£¬½±ÀøÒ»Ï£¡ 2011-06-12 09:43:55
You can get the most recent version of DFT-D3, and following the guide, then you will get what you wanna.

The current version of DFT-D3 support for the 94 elements H-Pu, so the Iridium is in the list.

http://toc.uni-muenster.de/DFTD3/getd3.html
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3Â¥2011-06-12 09:27:26
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yjcmwgk

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Originally posted by chrinide at 2011-06-12 09:27:26:
You can get the most recent version of DFT-D3, and following the guide, then you will get what you wanna.

The current version of DFT-D3 support for the 94 elements H-Pu, so the Iridium ...

thank you very much!
4Â¥2011-06-12 09:30:37
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