[Wien] lattice change mBJ+SO
emami seyyed amir abbas
a.a.emami at birjand.ac.ir
Fri Dec 25 09:11:08 CET 2015
Dear users
I am trying to run mBJ+SO for a cubic structure. Also i need to investigate the effect of lattice change on its magnetic properties. As i know for GGA calculation, i can just change the lattice and again run_lapw. But for mBJ we need some initialization. By this explanation, is it possible for mBL+SO to just change the lattice and again run_lapw without re-initializing.
regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20151225/84d46933/attachment.html>
More information about the Wien
mailing list