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Where can I get POTCAR of Cerium (lanthanoid elements)
Posted: Tue Feb 07, 2006 3:24 am
by superyoyo
I have to do some calculations that use Cerium as impurities in supercell. I have had POTCAR package but there are no Cerium POTCAR and any lanthanoid elements.
Please help me.
Thank you
Pakpoom Reunchan ( as a member of S.Limpijumnong's research group in Thailand )
Where can I get POTCAR of Cerium (lanthanoid elements)
Posted: Tue Feb 07, 2006 10:40 am
by tjf
There are cerium potentials in all three PAW libraries.
Failing that, if you're so inclined you could probably build yourself a POTCAR from the USPP library at Vanderbilt's site,
http://www.physics.rutgers.edu/~dhv/uspp/. Your milage may vary.
<span class='smallblacktext'>[ Edited Tue Feb 07 2006, 11:44AM ]</span>
Where can I get POTCAR of Cerium (lanthanoid elements)
Posted: Tue Feb 07, 2006 11:24 am
by admin
your group HAS a license covering access to the PAW potentials, therefore, please ask the person who is responsible for all VASP administration and installation at your site where he/she has saved the PAW-POTCARS (or, if he/she has not done so yet, to download these potentails for you).
Where can I get POTCAR of Cerium (lanthanoid elements)
Posted: Tue Feb 07, 2006 4:51 pm
by superyoyo
Thank you very much.
I will try to look for PAW potentials.