[Pw_forum] application of electric field to monolayer TMDC

Sohail Ahmad sohailphysics at yahoo.co.in
Sat May 7 22:03:21 CEST 2016

 Dear QE userI wish to study band gap variation after applying electric field on a monolayer of TMDC (Lets say MoS2)My question is .......when should i use theseedir = 3,  emaxpos = 0.5d0, eopreg = 0.1d0, eamp = 0.001,tefield = .true.
Do i need to relax by using these parameters, and then use scf,nscf as usual (without these)     OR 
Use these paprameters directly in scf (without relax) and then proceed as usual.

Which one of the above mentioned  is correct ?Anxiously Waiting for commentsBest Wishes-----------------------------------------------------------------------------------------------------------------
Sohail AhmadKing Khalid University 
Abha, Saudi Arabia
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