The ABINIT Users Mailing List ( CLOSED )

[AMADON Bernard <bernard.amadon@cea.fr>]

Dear Sang-Hwan Kim,

In Abinit, the LDA+U is currently available only within the PAW framework.

Best regards
Bernard Amadon

PS: Unless you need a functionnality which is not yet available
in PAW, you could consider using it: calculations in the PAW framework are 
usually faster and more precise than the Norm-conserving calculations.


ski2@mail.uh.edu a écrit :
> Dear All,
>
> I am trying to calculate electronic structures with +U (AL or MF).
>
> For the calculations, should I use only PAW method?
> I know how to do with PAW using input variables such as usepaw, usepawu, 
> upawu,
> lpawu, jpawu, pawovlp.
> But in this time I want to avoid using PAW method. But somehow I couldn't find
> the input variables.   
> Please let me know which variables I need to select.
>
> Best,
> Sang-Hwan Kim
> University of Houston
>
>