[Wien] Electric field induced electronic properties

Laurence Marks L-marks at northwestern.edu
Mon Feb 20 06:04:11 CET 2017


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 http://MURI4D.numis.northwestern.edu
Partner of the CFW 100% gender equity project, www.cfw.org/100-percent
Co-Editor, Acta Cryst A


On Feb 19, 2017 22:20, "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
> <https://urldefense.proofpoint.com/v2/url?u=http-3A__pubs.rsc.org_en_content_articlepdf_2016_ra_c6ra07415d&d=CwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=53aEPn1gRIQb9x1PJN5aTGOrKHwEo1CZh0txJ2Xklmk&s=iCZV8WRdbbCz-5dX30h82dGekL0lsMHkg6yiOcN8Rtk&e=>)
> 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
>
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