[Wien] [SPAM?]

[Michael Sluydts]

Hello,

You can find details in the user manual paragraph 4.5.6 Orbital 
potentials p48 .

You will have to get your U/J either from the literature or by fitting 
to experiment. There are also ways to determine it ab initio via linear 
response which I have little experience with (see literature again). 
Keep in mind that in literature you will often only find a U value which 
is then an effective U obtained as U-J.


Regards,

Michael Sluydts

zahia ayat schreef op 9/06/2014 16:27:
> Please
>
> what are the steps used for GGA+U ?
> Because i need to use it.
> thank you
>
>
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