Hopefully this one http://pseudopotentials.quantum-espresso.org/upf_files/H.coulomb-ae.UPF
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 Nicola Sent from a tiny keyboard... Contact info: http://theossrv1.epfl.ch/Main/Contact > On 10 Mar 2022, at 00:13, John McFarland via users > <users@lists.quantum-espresso.org> wrote: > > > 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. > _______________________________________________ > The Quantum ESPRESSO community stands by the Ukrainian > people and expresses its concerns about the devastating > effects that the Russian military offensive has on their > country and on the free and peaceful scientific, cultural, > and economic cooperation amongst peoples > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
