[QE-users] VASP POTCAR into Quantum Espresso formats

[Michal Krompiec]

But what is the point if you can use D3 in QE directly? (and D4 via ASE)
Best regards,
Michal Krompiec
Merck KGaA

On Mon, Aug 17, 2020 at 8:49 PM Ilias Miroslav, doc. RNDr., PhD. <
miroslav.ilias at umb.sk> wrote:

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> Hello,
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> there is nice the work of Trombach et al.,
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> https://doi.org/10.1039/C9CP02455G  .
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> Authors constructed D3 enhanced PAW potentials for some superheavy
> elements, but only in VASP POTCAR format (see them in
> http://www.rsc.org/suppdata/c9/cp/c9cp02455g/c9cp02455g3.zip ,
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> http://www.rsc.org/suppdata/c9/cp/c9cp02455g/c9cp02455g2.pdf) .  These  8
> potentials are free to use.
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> Is there a viable way to convert these POTCAR files into format suitable
> for Quantum Espresso ?
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> Best, Miro
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> PS: I asked similar question on Abinit forum,
> https://forum.abinit.org/viewtopic.php?t=4469 .
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> _______________________________________________
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> users mailing list users at lists.quantum-espresso.org
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