Dear Wien2k users,
What kind of input files can I use instead of a
file.cif in order to create the file.struct?
I've also another question about cases of different
occupancies of the same crystallographic site by different
kind of atoms. I read in the mailing list that one way to
overcome this problem is to create supercell, are there
other solutions? for example is it possible to build up a
cluster of atoms and give it as input file.xyz?
Thank you very much in advance.
Best regards
Valentina Capogrosso
