[Wien] LDA+U and external magnetic field

[Gavin Abo]

If you are trying to combine the LDA+U (nmod = 1) and external magnetic 
field (nmod = 3) option of orb, I believe that you still cannot do that 
without hacking the code:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05180.html
http://wien.zeus.theochem.tuwien.ac.narkive.com/QtGeqKM4/lda-u-external-field 
(or 
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2003-October/000970.html )
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-January/001820.html

On 7/31/2015 1:10 AM, Bin Shao wrote:
> Dear all,
>
> I intend to calculated the split of f-band in the external magnetic 
> field. Normally, the Hubbard U should be applied to the f-orbital. So 
> how to achieve LDA+U and the external magnetic field in a single scf 
> calculation?
>
> Best,
>
> Bin
>
> -- 
> Bin Shao
> Postdoc
> Department of Physics, Tsinghua University
> Beijing 100084, P. R. China
> Email: binshao1118 at gmail.com <mailto:binshao1118 at gmail.com>
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