[QE-users] VASP POTCAR into Quantum Espresso formats

[Paolo Giannozzi]

On Mon, Aug 17, 2020 at 9:49 PM Ilias Miroslav, doc. RNDr., PhD. <
miroslav.ilias at umb.sk> wrote:

Is there a viable way to convert these POTCAR files into format suitable
> for Quantum Espresso ?
>

it depends upon your definition of "viable" :-)

Converting one pseudopotential format into another one implies the
knowledge of what is present in each format and also of the correspondence
between the quantities read from one format and those written into another
one. This is typically easy for norm-conserving PPs, less so for ultrasoft
PPs, even less so for PAW. Nobody will do that without a good reason.

Paolo


> Best, Miro
>
> PS: I asked similar question on Abinit forum,
> https://forum.abinit.org/viewtopic.php?t=4469 .
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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