[Pw_forum] (no subject)
shruti shukla
shruti_12912 at rediffmail.com
Mon Mar 18 08:42:09 CET 2013
Dear users,
I am making an artificial superlattice (BaTiO3/SrTiO3). The total energy of superlattice is greater than the sum of the total energies of its two component lattices. Should I proceed with my calculations or not?
Shruti
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20130318/2e323bd8/attachment.html>
More information about the users
mailing list