VASP calculations with finite electric field
Posted: Mon Oct 28, 2013 8:37 pm
Hi guys,
I want to do a structural optimization of bulk perovskites with application of finite electric field. However, I found two options in the manual, EFIELD and EFIELD_PEAD. Do those two methods give different results? I tried with EFIELD_PEAD for the structural optimization. It turned out that only the first ionic step turned the E on. Is it true or maybe I made some mistake in the INCAR?
Thank you very much!!!
Best Regards
Qibin Zhou
I want to do a structural optimization of bulk perovskites with application of finite electric field. However, I found two options in the manual, EFIELD and EFIELD_PEAD. Do those two methods give different results? I tried with EFIELD_PEAD for the structural optimization. It turned out that only the first ionic step turned the E on. Is it true or maybe I made some mistake in the INCAR?
Thank you very much!!!
Best Regards
Qibin Zhou