[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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