[Wien] EFG dependence on magnetic field

[Gavin Abo]

To apply external magnetic field Bext inside atomic sphere [1-3] and 
control its direction, see the section "Input for interaction with Bext 
(nmod=3)" on page 113 in section "7.3.3 Input" of the WIEN2k 14.2 
usersguide [4].

[1] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg01508.html
[2] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09205.html
[3] 
http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09002.html
[4] http://www.wien2k.at/reg_user/textbooks/usersguide.pdf

P.S. The image in your email that I received was broken (missing).

On 9/3/2015 2:06 PM, Muhammad Sajjad wrote:
> Dear user
> I am interested to check how electric field gradient behaves when 
> external magnetic field is applied. My question is how can we apply 
> magnetic field in wien2k? I remember in soc calculation my choose some 
> magnetisation direction in case.inrob file. Is it magnetic field or 
> what? Can we apply magnetic field at some angle say H is making an 
> angle of 32 degree with (100) axis as showmen below?
>
> Thank you
> M. Sajjad
> KAUST, KSA.
>
>
> -- 
> Kind Regards
> Muhammad Sajjad
> Post Doctoral Fellow
> KAUST, KSA.