[adf-list]在densf中指定轨道名称

蒂姆威尔逊 迈尔默塞尔姆的Twilson..Mines.edu
星期五2015年7月3日21:04:26

Is there a way to specify which orbitals I'd like in densf using the names
of the orbitals as returned by adfreport? For example, I'd like to specify
the orbital "T2.g:3_3" rather than "HOMO-1". You can specify individual
orbitals by name in adfview, which uses densf to calculate them, so I
wonder if I can do this with densf directly.

Thanks.
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