[DFTB-Plus-User] Script to convert geom.out.gen into a CIF or POSCAR file?

[Zwijnenburg, Martijn]

Hi,

Does anyone by any chance have a script to convert geom.out.gen for a 3D calculation into a CIF or POSCAR file?

Thanks in advance,

Martijn

—
Prof. Martijn A. Zwijnenburg PhD MSc BSc MRSC
Professor of Computational Materials Chemistry
Chair of the Chemistry Postgraduate Board of Examiners
Chair of the Dutch Academic Network in the UK (DANinUK)

Christopher Ingold Laboratories
Department of Chemistry
University College London
20 Gordon Street
London WC1H 0AJ
Tel 020 7679 4665
Fax 020 7679 7463
email:
m.zwijnenburg at ucl.ac.uk<mailto:m.zwijnenburg at ucl.ac.uk>
twitter:
@ZwijCompChem
webpages:
http://www.ucl.ac.uk/chemistry/people/martijn-zwijnenburg
https://www.zwijnenburg-group.org/
https://thomasyoungcentre.org/people/dr-martijn-zwijnenburg/










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