[Pw_forum] error- dE0s is positive which should never happen

[Saif Ullah]

It is a well-known error.

The following links may be helpful.
http://qe-forge.org/pipermail/pw_forum/2014-September/105225.html
https://www.mail-archive.com/pw_forum@pwscf.org/msg29759.html

Regards
Saif


On Tue, Dec 19, 2017 at 7:38 AM, B S Bhushan <ecebhushan at gmail.com> wrote:

> Dear experts...
>
> I have received this following error when I was trying to optimize a doped
> graphene sheet.
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%
>      Error in routine bfgs (1):
>      dE0s is positive which should never happen
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>
> Please suggest me.... how to avoid this error.
>
> Thank you very much for your precious time and knowledge.
>
> Sincerely,
> B S Bhushan,
> Ph.D Scholar,
> ABV-IIITM Gwalior, India.
>
>
>
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