Geometry Relaxation with E-Field

[bhackl]

Hi all,
I´ve noticed, that some other people already asked this question, but I couldn´t find a sufficient answer.
I want to perform a geometry relaxation under the influence of an electric field.
However, the EFIELD tag does not change the relaxation. When I tried using DIPOL corrections, there have been some changes, but the overall relaxation doesn´t change for different values of EFIELD.
I tried the same with EFIELD_PEAD but had no success either.

Is there a way to perform a geometry relaxation under the influence of an electric field?

Thank you

[pedro_melo]

Dear bhackl,

I think this forum post might help you with your issue Electric field contribution to forces with EFIELD_PEAD. Did you set LPEAD_RELAX=T in your INCAR?

If you did and it is still not performing as it should, could you provide me with the input files (INCAR, KPOINTS, POTCAR, POSCAR) and output files (OUTCAR and standard output) where this issue is present? Preferably with the smallest possible system that still gives you this error.

Kind regards,
Pedro

[bhackl]

Dear Pedro,
thank you very much for your response.
I set the INCAR as described in the post you´ve linked.
When I change the value of EFIELD_PEAD the resulting CONTCAR doesn´t change. Shouldn´t the relaxed structure be different for different values of an electrical field (e.g. EFIELD_PEAD = 0.0 0.0 0.01 and 0.0 0.0 0.001)

I´ve attached the input files I´ve used.

Thank you

[pedro_melo]

Dear bhackl,

Thanks for the feedback. I will have a look at your issue.

Best,
Pedro