Pseudopotentials

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kazeej
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Pseudopotentials

#1 Post by kazeej » Fri Aug 05, 2022 5:22 pm

Hi
Does VASP accept Ultrasoft pseudopotentials?

alexey.tal
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Re: Pseudopotentials

#2 Post by alexey.tal » Fri Aug 12, 2022 3:04 pm

Hi,

Technically one can download and use the ultrasoft pseudopotentials from the VASP user portal. However, the support of these US-PP potential in the code is very limited and they can only be used with great caution. Furthermore, the PAW potentials are far superior and should be preferred (see wiki).

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