Where can I get POTCAR of Cerium (lanthanoid elements)

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superyoyo
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Where can I get POTCAR of Cerium (lanthanoid elements)

#1 Post by superyoyo » Tue Feb 07, 2006 3:24 am

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 )
Last edited by superyoyo on Tue Feb 07, 2006 3:24 am, edited 1 time in total.

tjf
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Where can I get POTCAR of Cerium (lanthanoid elements)

#2 Post by tjf » Tue Feb 07, 2006 10:40 am

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>
Last edited by tjf on Tue Feb 07, 2006 10:40 am, edited 1 time in total.

admin
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Where can I get POTCAR of Cerium (lanthanoid elements)

#3 Post by admin » Tue Feb 07, 2006 11:24 am

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).
Last edited by admin on Tue Feb 07, 2006 11:24 am, edited 1 time in total.

superyoyo
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Where can I get POTCAR of Cerium (lanthanoid elements)

#4 Post by superyoyo » Tue Feb 07, 2006 4:51 pm

Thank you very much.
I will try to look for PAW potentials.

:)
Last edited by superyoyo on Tue Feb 07, 2006 4:51 pm, edited 1 time in total.

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