The ABINIT Users Mailing List ( CLOSED )

[mmikami@rc.m-kagaku.co.jp]

Hello,

Following an FAQ (http://www.abinit.org/ABINIT/FAQ.html#Bib_DB),
it would be a good idea to visit "ABINIT bibliographical database"
from the ABINIT front page.
http://www.abinit.org/cgi-bin/biblio_abinit.pl
Check the button "Search in the data base" and press "submit",
then press "Search the database" on the page "Searching the ABINIT 
database. "
Not a few papers might be interesting to you !

First,  pseudopotential making needs special care ...
It might be a good idea to know some alerts from the benchmark
( ~ABINIT/Infos/Psp_infos/psp1.data ). In general, 3d-transition metal
and 4f-rare earth elements may not be straightforward ...
(See also, http://www.abinit.org/ABINIT/FAQ.html#Difference, in advance)

If you would like to know more specifically,
it would be a good idea to disclose your case more clearly...

Regards,
Masayoshi

On 2003.5.15, at 02:29 Asia/Tokyo, Hui Hui wrote:

> Can anybody comment on how well ABINIT can be applied to calculate the 
> structural and electronic properties of transition metal oxides (bulk, 
> surface, oxide-oxide interface)?
>
> Many thanks ahead!
>
> Hui
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