[Wien] lattice change mBJ+SO
tran at theochem.tuwien.ac.at
tran at theochem.tuwien.ac.at
Fri Dec 25 21:01:29 CET 2015
Yes, initialization is necessary only for the lattice.
On Fri, 25 Dec 2015, emami seyyed amir abbas wrote:
> 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
>
>
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