[Wien] error in vorb continues...
Gavin Abo
gsabo at crimson.ua.edu
Thu Jul 6 17:17:18 CEST 2017
What about L2NTV_V.outputorbup, any problematic messages seen in it
similar to "Conflict in atom orb. number" [1]?
[1]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07531.html
On 7/6/2017 8:46 AM, shamik chakrabarti wrote:
> Dear Gerhard,
>
> I have done 0% reduction during a normal SCF run,
> while have done 6% reduction during volume optimization run. No, I
> have not received any other error files other than uporb.error.
>
> with regards,
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