[Wien] Planar average potential

Peter Blaha pblaha at theochem.tuwien.ac.at
Sun May 22 17:53:16 CEST 2022


x lapw5 -h    and you will see the options. Please also read the lapw5 
section of the UG.

> I am struggling to calculate the planar average potential. Though I have 
> calculated the charge densities from x lapw5 (after scf calculation), 
> but still I do not know how to perform post-processing to get the 
> potentials. Please give me your suggestions to sort out the problem.
> 
> With regards,
> Amit Chauhan
> Research Scholar
> IIT Madras
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at 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

-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
-------------------------------------------------------------------------


More information about the Wien mailing list