Hi,
Are there any utils in WIEN package for supercell creation? I'm interested not
just to enlarge the unit cell, but also to rotate it and cut a surface along
some direction.
For example, I take a unit cell of wurzite SiC and want to create a surface
with [10-10] orientation. Another question is how to rotate a crystal cell to a
given angle along one axis. Any advices/ papers/algorithms are appreciated.
Regards,
Fedor Bystrenko
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html