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Relativistic pseudopotentials and PAW datasets up to Z=118 ?

Posted: Thu Jul 19, 2018 8:29 pm
by miro_ilias
Greetings, dear Abinit community,

looking into https://www.abinit.org/psp-tables I wonder if somebody has generated already potentials and datasets also for superheavy elements up to Z=118 (that is the Og element).

Thanks, Miro

Re: Relativistic pseudopotentials and PAW datasets up to Z=1

Posted: Wed Aug 15, 2018 9:59 am
by setten
I did once generate Oganesson just for the fun of it. It can be done but it is work and probably nobody is interested. If you have a real project in mind we could discuss.

Best,
Michiel