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

[B S Bhushan]

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 <kiterunner7 at 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 <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.
>>
>>
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
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>
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