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["Kim Allen" <hydeng2007@gmail.com>]

Thanks very much!

I want to know more about the question 1. My question is:

Can the GWA in Abinit 4.6.5 deal with the ferromagnetic materials? Can I perform the GW calculation directly using the LSDA results by Abinit 4.6.5?  Could someone provide some literatures?

 

Best wishes!

 

2007/5/23, Anglade Pierre-Matthieu <anglade@gmail.com>:

Hi,

1) I'm not sure about LSDA+GW yet it is likely implemented.

2) Dealing with spin within abinit is done through variables : nspden, nspinor, spinat, nsppol.

3) Bernard Amadon has implemented LDA+U for PAW. It is used through : upawu and usepawu. I think that LDA+U is also available for other pseudopotentials.

You can have a look at each of this input variable for more details. For examples you can laso grep for those variables in the input files contains in the tests directory.

regards

PMA

On 5/23/07, Kim Allen <hydeng2007@gmail.com > wrote:

Dear Abiniter,

 

Can the Abinit deal with the ferromagnetic materials directly using LSDA+GW? How the Abinit deal with the ferromagnetic materials ?

By the way, can the Abinit use the LDA+U?

 

Thanks! 

 

Kim Allen

--
Pierre-Matthieu Anglade