[QE-users] Is there an Optimized Norm-Conserving Vanderbilt (ONCV) pseudopotential of Eu atom?

[Lorenzo Paulatto]

Hello,

there is one in the pslibrary (by Andrea Dal Corso marked as originating 
from Troullier-Martin themselves) I've attached it linked below, scalar 
and full-relativistic, as it is only available in input-file form. I 
hope you know what you are doing.


https://mycore.core-cloud.net/index.php/s/FWluxwo8V0h5xnv

https://mycore.core-cloud.net/index.php/s/DLBOHb32FXpxwSH


kind regards


On 2/8/24 09:01, 임용식 wrote:
>
> Hello~
>
> I'm currently finding an Optimized Norm-Conserving Vanderbilt (ONCV) 
> pseudopotential of "Eu" atom which has a localized f-orbital.
>
> But no matter how much I search in online, I can't find that.
>
> In "http://www.quantum-simulation.org/potentials/sg15_oncv/upf/", 
> other atoms have a ONCV pseudopotential, some of rare earth elements 
> such as "Eu, Lanthanides" don't have one.
>
> So, I request your help. Does anyone have it? If so, please share.
>
> Thank you.
>
>
>
> Yongsik Lym
>
> Gwangju Institute Science & Technology in South Korea.
>
>
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-- 
Dr. Lorenzo Paulatto
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