[Wien] charge fluctuation

[Laurence Marks]

Any converged result is valid.

Any method that works to obtain a converged result is correct - some
methods may be faster than others.

---
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
http://www.numis.northwestern.edu
Corrosion in 4D http://MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Jul 5, 2015 07:10, "Seyyed Amir Abbas Emami" <a.a.emami at birjand.ac.ir>
wrote:

>  ​dear Gavin
>
> On  what you said about clmextrapol_lapw when only lattice parameter is
> changed ( i mean the procedure that you mentioned):
>   I read somewhere, that  after run save_lapw , just changing the lattice
> parameter  to new one and running run_lapw, is sufficient. I do that and
> the new lattice parameter converge very fast. Now i am not sure about the
> results. Is this method correct and is the result  valid?
>
> Sincerely.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150705/e5c863ca/attachment.html>