[QE-users] Replace vacuum with virtual environment of different permittivity

Rakesh Pradhan rakesh.pradhan at kaust.edu.sa
Sat Dec 26 16:12:22 CET 2020


Dear All,

I am currently studying perovskite interfaces. I want to replace the vacuum
of my simulation cell with materials of different permittivity and
calculate their density of states. I'm aware that this can be achieved by
creating interfaces of different materials with perovskites, however, my
perovskite system is very large and I want to avoid additional atoms.

Is there any code which can replace the vacuum with a virtual material of
different permittivity?

-- 
THANKS & REGARDS

*Rakesh Rosan Pradhan*
*PhD Scholar*
*Applied Physics*
*King Abdullah University of Science & Technology (KAUST)*

-- 

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