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

[B S Bhushan]

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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