[DFTB-Plus-User] DFTB+ 18.1 fails after 2 geometry when pdos is enabled

[Bálint Aradi]

Dear Karol,

> I encountered a small problem with the 18.1 version of DFTB+. When I 
> want to generate pdos with geometry changes (either optimisation or
> MD) after the second geometry step, just after SCC part I receive an
> error:
>> forrtl: severe (104): incorrect STATUS= specifier value for
>> connected
> file, unit 29, file 
> /2/CHEMIA/PD/fullerenes/c60_connections/test_pdos/pdos.C.1.out
> 

I tried to run an MD with ProjectStates turned on and could not
reproduce your error. Could you eventually send me off-list a self
containing input, so that I can try it for your specific case?

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/