[QE-users] Electric field perpendicular to 2D materials

Ubaid Mohd onlymubaid at gmail.com
Thu Oct 11 09:44:51 CEST 2018


Dear experts,
 I am doing electronic structure calculations of van der
Waal heterostructure devices. I have done all vc-relaxation and electronic
structure calculations. Now I want to introduce an external electric field
perpendicular to the 2D system. I have been work on the tutorial examples
related to the electric field given in the espresso.
How should I start the electric field calculations? Can I start scf
calculations with the relaxed parameters for electric field or I have to
relax the system for each value of the electric field?

I would appreciate any help on the subject.

Regards.
*Mohammad Ubaid*
*PhD Research Scholar*
*Department of Physics*
*Jamia Millia Islamia University*
*New Delhi - 110025*
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