[Wien] error in vorb

[Gavin Abo]

I'm not seeing anything that is noticeably problematic with your 
case.indmc and case.inorb files.  They seem fine.

The "error in vorb" is not informative enough.  So you need to check 
yourself for further hints of the problem. [ 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10490.html ]

Usually, there is a forrtl error and traceback message.  Or there might 
be a warning or error message that happened much earlier in the calculation.

Another possible cause of the "error in vorb"error might be a problem 
with a dmat file.  The dmat file(s) have a file size greater than 0? [ 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10492.html ]

On 6/30/2017 12:36 AM, shamik chakrabarti wrote:
> Dear wien2k users,
>
>                    I have tried to run volume optimization of a 56 
> atomic system using GGA+U approach. I have applied U to V (4 atoms) & 
> Ni (8 atoms). However, it is failed to run indicating "error in vorb" 
> in error file. I am sending the case.indmc & case.inorb file herewith 
> this mail. Any response in this regard is eagerly awaited.
> Thanks in advance.
>
> with regards,
>
> -- 
> Dr. Shamik Chakrabarti
> Post Doctoral Research Associate
> Dept. of Condensed Matter Physics and  Material Science
> S N Bose National Centre for Basic Sciences
> Kolkata-700098
> INDIA
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