MO cube file index for ROKS calculation

Xiaoming Wang wxia... at gmail.com
Sun Oct 1 00:39:21 UTC 2017


The PDOS option could print the eigenvalues by only for the alpha spin.

On Friday, September 29, 2017 at 10:05:35 AM UTC-4, Xiaoming Wang wrote:
>
> Another question is how to find a way to print the eigenvalues for ROKS 
> calculations? The usual way of print MO doesn't work.

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