[QE-users] [QE-user] Need of a dipole correction for a surface calculation

[Omer Mutasim]

This link will I’ll explain dipole correction 
https://blog.virtuallab.co.kr/en/2019/10/10/20-dipole-correction-an-offsetting-effect-of-the-artificial-electric-field/ 


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On Friday, August 28, 2020, 11:35 AM, Yuvam Bhateja <yuvamb16 at gmail.com> wrote:

Hello everyone,
I am new in the DFT and QE community and still learning.
I want to know if I need a dipole correction for my heterostructure.
I have a graphene sheet layered over my Cr2O3 unit cell with 10A of vacuum on top.I am aware that usually dipole correction is needed for slab calculation where there should be vacuum on both sides of the slab and if the potential isn't flat.
But my system has vacuum only on one side and the bottom layer is fixed to replicate bulk structure. 
Can I use dipole correction in my system? and what should be the value for parameters like emaxpos, edir and eopreg?
I am attaching my input file.
Please can someone help me over this?
RegardsYuvam BhatejaBachelor of TechnologyE&TcIIEST ShibpurIndia

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