[Wien] Energy converged but charge not converging for charged supercell

[Laurence Marks]

You have not provided enough information for anyone to guess. Basic info is
described in the list recommendation, and include:
1) RMTs
2) K-points
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Sat, Jun 6, 2020, 16:50 Ashwani Kumar <ashwani.ism at gmail.com> wrote:

> hi.
> SCF for charged supercell (added 1 electron in case.in2 & 1.0 in
> case.inm) is not converging for rkmax 5.5. :ENE and :DIS shows energy
> convergence but non convergence of charge distance. For rkmax 4.0 ,
> both :ENE and :DIS converged. :ENE and :DIS outputs are attached for
> your reference. please see 'super.scf" as the latest SCF in the file.
> what could be the reason for non convergence of :DIS parameter and how
> can i make it to converge.
>
> -A. kumar
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