[Wien] Electronic structure properties in the presence of external fields

[Peter Blaha]

I'm not sure what you expect from calculations with an external magnetic or electric field.

Electric field:
a) There is an "old-fashioned" version with a periodic e-field in the code.
b) I'd recommend Berry phase calculations with an add-on "BerryPI" available from the
    "unsupported"-software page of www.wien2k.at, which is the modern, proper and efficient
    way to obtain effects due to an electric field.

Magnetic fields: effect on metals or insulators ??? For metals look into the "orb" program.


Am 01.01.2013 11:48, schrieb Marziye Foroughpour:
>
> Dear WIEN2k users,
>
> I'm trying to study the role of external magnetic and electric field on the electronic properties of a surface. I'd like to ask you  how I can obtain the effects of both
> fields, by WIEN2k code?
>
> Dorna
> Department of Physics
> Shiraz University
> Iran
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>

-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------