[Pw_forum] ibrav
sandile mamba
sandilemamba5 at gmail.com
Sun Jul 31 00:47:26 CEST 2016
Dear all
I want to write an input file for a molecule with 95 atoms. It does not
have a specific crystal structure. My question is, is it possible to have
such an input file in quantum espresso.
--
Kind Regards From
Mr Sandile Thulani Mamba
UKZN Student
Cell +268 7629 4865
Cell +27 72 956 2380
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160730/600b181b/attachment.html>
More information about the users
mailing list