Dear Dr. Saif, I have through this link before posting the error. However, I could not find a solution to my problem there.
On Tue, Dec 19, 2017 at 6:07 PM, Saif Ullah <kiterunn...@gmail.com> wrote: > 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 <ecebhus...@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. >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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