Dear all,
In a spin polarized calculation, should i do both "x lapw1 -band -up" and "x lapw2 -band -dn" in spin up?
Or just need to do "x lapw1 -band -up"?
With regards!
发自我的手机
_______________________________________________ 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