[CP2K-user] PBE0 Pseudopotential file

Frederick Stein nwfr... at googlemail.com
Sun Jan 31 10:05:59 UTC 2021


Hi Monu,

Your pseudopotentials file seems to be self-made. Can you upload it too?

Best,

Frederick

Monu Joy schrieb am Sonntag, 31. Januar 2021 um 01:34:04 UTC+1:

> Hi there
>
> How can I eliminate this error...? I was trying to do a PBE0 calculation 
> but I was getting this error.
>
> [image: Inline image]
>
> -Monu
> ======================================
> Monu Joy
> Graduate Student & Teaching Assistant
> *Functional Materials Design & X-ray Diffraction Lab (Office: CAMP 328)*
> Department of Chemistry & Biomolecular Science, Box 5814
> Clarkson University, Potsdam, NY 13699, USA
>
> E-mail: j... at clarkson.edu | Mob: +1 (315) 323-4313 <(315)%20323-4313>
> Web Page
> ======================================
>
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