[Wien] Electric field induced electronic properties

Oleg Rubel orubel at lakeheadu.ca
Mon Feb 20 06:20:46 CET 2017


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 Feb 19, 2017, at 23:20, Rajneesh Chaurasiya <rajnano2012 at gmail.com> wrote:
> 
> 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 wien2k code?
> 
> if its possible, then how to compute please tell me little bit about it..
> 
> thank you
> 
> -- 
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170220/1a9c0735/attachment.html>


More information about the Wien mailing list