[Pw_forum] vc-relax analysis doubt

[Ricardo Afonso]

Dear Lorenzo,

I was not asking to someone to recompile my code and did what I have just
done. By other reason, what I'm looking for is if there is any error in
what I have just done, in terms of my input file. For example, changing
upscale may bring some difficult to the code to keep the convergence.
I did not mean to anyone testing my code or something like that. I'm sorry
if that is what sounded. Anyway, I have gone through a good piece of this
forum, but it does not seem that anyone came across the fact that after a
few 'bfgs' cycles the limit of 'scf' cycles is reached. I'm open as wall
for any reference, book, video or website of help, once this "error" keeps
coming up for my structures.

Otherwise, thank you for your answer.

Regards.

On 31 August 2017 at 05:08, Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr
> wrote:

> Dear Alfonso
> do you really expect someone to:
> 1. modify her code
> 2. recompile it
> 3. search and download all the pseudopotentials you used
> 4. write a script to submit the job
> 5. waste some valuable computing hours
> 6. wait
>
> just for the sake of solving *your* problem?
>
> Try to make the list shorter if you need some help..
>
> kind regards
>
>
> --
> Dr. Lorenzo Paulatto
> IdR @ IMPMC -- CNRS & Université Paris 6
> phone: +33 (0)1 442 79822 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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-- 
Ricardo Afonso
Student of Magnetism and Superconductivity Group
Federal University of Sao Carlos
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