[Pw_forum] bfgs crash for relax calculation under finite-electric fieldcaclulation

[degironc]

This means that the calculation cannot proceeds further because, I 
guess, the required threshold is below the noise level of the energy and 
forces you compute.
In order to reduce the noise you could increase the scf threshold and/or 
increase the ecutrho to improve the accuracy of XC energy calculation.
Are you sure the  your relaxation  has not already  converged ?
stefano

an haiping wrote:
> Hi, All
>
> I have come to bfgs crash with error information below when i did 
> relax calculation of graphene system under finite-homogeneous-electric 
> field.  The finite-homogeneous-field is perpendicular to the graphene 
> plane with E= 0.001 a.u..
> I just want to perform  calculation of static dielectric properties of 
> this 2-D system.
> "
> trust_radius < trust_radius_min
>
> resetting bfgs history
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%=
>
> %%
>
> from bfgs : error # 1
>
> bfgs history already reset at previous step
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%=
> %%%%%
>
> stopping ...
>
> *************************************************************************=
>
> ******
> "
>
> I checked mailing-list several times , and didnot  find  the related 
> solutions, would you  please give me some suggestion and comments ?
>
> Best Wishes,
>
> H.P
>
>
> -- 
> Hai-Ping Lan
> Department of Electronics ,
> Peking University , Bejing, 100871
> lanhaiping at gmail.com <mailto:lanhaiping at gmail.com>, hplan at pku.edu.cn 
> <mailto:hplan at pku.edu.cn>