The ABINIT Users Mailing List ( CLOSED )

[Aloysius Soon <aloysius@physics.usyd.edu.au>]

Dear Abinit users,
I'm a new user of this code and was looking at the 
pseudopotential library provided (FHI-PBE). To have a better 
understanding of the pseudopotentials that I'm going to use, 
I downloaded both the ini file that was used to generate the 
pseudopotential and the pseudopotential file itself. The 
element of interest is oxygen.

I've also looked at the manual for FHI98pp on the web. 
Having the basic idea of pseudopotential generation, I was 
trying to look for the cut-off radius specified in the ini 
file but could not seem to locate. Or even if it is where is 
it supposed to be specified, it was left as 0.0 (!!)

Perhaps I'm missing something here. Could anyone please 
enlighten me as to how to figure out the cut-off radius (for 
the various channels) for the oxygen file (or any element)?

Many thanks.




best regards,
Aloysius
--
Aloysius Soon
Condensed Matter Theory Group
School of Physics A28, Room 361
The University of Sydney, NSW 2006 Australia
Phone: +61 2 903 65389
Fax: +61 2 935 17726
Email: aloysius@physics.usyd.edu.au
Web: http://www.physics.usyd.edu.au/~aloysius/
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- CARPE DIEM -
"Gather ye rosebuds while ye may,
Old time is still a-flying,
And this same flower that smiles today,
To-morrow will be dying."
                        ROBERT HERRICK
                        1591-1674
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