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

[lan haiping]

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, hplan at pku.edu.cn
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