[Wien] Optimal lattice constants in orthorombic structure ?
Marzieh Gh
mghoohestani18 at gmail.com
Wed Jun 24 09:42:26 CEST 2015
Dear professor Blaha
I use option 6 of optimization to optimize lattice constants of orthorombic
structure.
Optimal lattice constants (a, b, c) are in which output file ? Or how to
find them?
Best Regard
--
Marzieh Ghoohestani
PhD Student of Computational Nano Physics
Nano Research Center, Department of Physics
University of Technology, Isfahan, Iran
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150624/4d755b42/attachment.html>
More information about the Wien
mailing list