It seems to be a feasible task. The saw-like potential will do the job. A
special care should be taken when positioning the 2D layer. It should be
situated midway between kinks of the saw potential. The best would be to plot
the potential along the lines to verify.
I hope this will help
Oleg
Dear Sir,
I want to compute the electronic properties of monolayer means how the band
gap of monolayer are changes with the applied electric field. link of
reference paper also attached in the previous mail.
Thank you..
On Mon, Feb 20, 2017 at 9:50 AM, Rajneesh Chaurasiya
The electric field in Wien2k is produced by adding a cell periodic (saw-like)
potential. This implies that the field is not uniform. Half of the cell
experience an opposite field. It is not the same as an external electric field
in VASP.
What are the properties you interested in?
Oleg
> On
Read the lapw0 section in the user guide, which gives information on how to
apply an electric field.
---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
http://www.numis.northwestern.edu
Corrosion in 4D
Dear Wien2k users,
I want to compute the electric filed induced electric properties of
monolayer, so any one can help...how to apply electric field in wienk?
I read one paper (
http://pubs.rsc.org/en/content/articlepdf/2016/ra/c6ra07415d) that is based
on the VASP. So is it possible in the
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