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

[Karol Strutynski]

Dear all,
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

It seems that just inclusion of  ProjectStates in Analysis ensures the
failed job, even on previously working configuration.
>  ProjectStates {
>    Region {
>      Atoms = C
>      ShellResolved = Yes
>      Label = "pdos.C"
>      OrbitalResolved = No
>    }
>  }

I tried several variations, without success.
The problem was not present in previous versions of the DFTB+ code.
Do you have any insights into what causes it?

Best Regards,
--
Karol Strutynski
CICECO - Aveiro Institute of Materials
Department of Chemistry
Universidade de Aveiro
Office 29.3.25
3810-193, Aveiro, PORTUGAL
Phone: +48 739259476
Mail: strutynski.karol at gmail.com, skarol at ua.pt
ORCID: http://orcid.org/0000-0001-8733-9012
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