[Wien] external electronic fields

[L.Z. Sun]

Dear Mr. Andersen
Thanks for your reply.  I have found that there have a optional parameters EFIELD for the perturbation electic field in the case.in0. 
my question is how can i define the electric field direction and the meaning of he IEFIELD parameter?
Best regards,
L.Z.Sun



Dear Mr. Sun,

you have to be more specific!

In general, DFT codes can not handle "arbitrary" electromagnetic fields 
if selfconsistency is needed, since the "ground state" become undefined.

If a perturbation approach (the DFT "ground state" is well defined) is 
good enough for you, you should be able to use wien2k.

Best regards,
Torsten Andersen.

L.Z. Sun wrote:
>>  Dear WIEN2k users,
>>  i want to study the case which the properties of  semiconductor 
>>  materials under an arbitrary external electronic fields.  can wien2k 
>>  deal this calculation?
>>   
>>   thanks advance.
>>  L.Z.Sun

-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/

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