partial dos for clusters
Just Got Here
10:51:37 AM PDT - Thu, Oct 29th 2015
Hi,

I'm looking for a way to get PDOS for clusters within Gaussian DFT. I found a post in 2012 (http://nwchemgit.github.io/Special_AWCforum/st/id634/PDOS_for_clusters.html), but still have questions.

For example, I am running CuO cluster. I know "dplot:angrpoj" can set the angular momentum. Is there a flag that can set the atom? (e.g. the DOS of copper's p orbitals). And what's the meaning of "dplot:dos_doproj"?

Thanks


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