<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body dir="auto">Hopefully this one<div><br></div><div><a href="http://pseudopotentials.quantum-espresso.org/upf_files/H.coulomb-ae.UPF">http://pseudopotentials.quantum-espresso.org/upf_files/H.coulomb-ae.UPF</a></div><div><br></div><div>and you just change the z valence. By the time you get to carbon (zval 6) you are looking at 500-1000 Ry of ecutwfc</div><div><br></div><div>Nicola<br><br><div dir="ltr">Sent from a tiny keyboard... Contact info:<div><div>http://theossrv1.epfl.ch/Main/Contact</div></div></div><div dir="ltr"><br><blockquote type="cite">On 10 Mar 2022, at 00:13, John McFarland via users <users@lists.quantum-espresso.org> wrote:<br><br></blockquote></div><blockquote type="cite"><div dir="ltr">
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I would like to do some simple all-electron DFT calculations. Does anyone know where I might get pseudopotentials for this? I'm basically looking for point charge nuclei.</div>
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