[Pw_forum] (no subject)

[Giovanni Cantele]

On 06 May 2014, at 21:22, Masoud Mansouri <masoud2600 at yahoo.com> wrote:

> Dear sir
> i'd like to start a relaxation process.but i donot get convergance in Ecut .scf calculations has done in various value between 20 to 100 Ry,but there is no convergance .what shoud u do?
> best;   
> 
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very difficult to answer, unless you provide more details:
i) how do you say that you do not get convergence? What property is not converging?
ii) which system? which pseudo potential?


It would be desirable if you could provide your affiliation and a subject to you message in a next message.

Giovanni


-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele