Viewing multiple unit cells in periodic boundary conditions

General Discussion
1

I have a Gaussian output file from a calculation on a 2-D periodic slab. Avogadro defaults to displaying 1 unit cell, plus the translation vectors. Is it possible to display the atoms in 2-4 different unit cells? This would make it much easier to interpret.

  • Ben Janesko
2

I have a Gaussian output file from a calculation on a 2-D periodic slab. Avogadro defaults to displaying 1 unit cell, plus the translation vectors. Is it possible to display the atoms in 2-4 different unit cells? This would make it much easier to interpret.

Yes, it’s under the “Unit Cell Parameters” command: Build > Unit Cell Parameters.

I think some of the crystal viewing/editing functions are in need of some reorganization. Suggestions would be most welcome!

Thanks,
-Geoff

Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geoff.hutchison@gmail.com
web: http://hutchison.chem.pitt.edu/