Relativistic pseudopotentials and PAW datasets up to Z=118 ?

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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miro_ilias
Posts: 10
Joined: Thu Jul 19, 2018 8:18 pm

Relativistic pseudopotentials and PAW datasets up to Z=118 ?

Post by miro_ilias » Thu Jul 19, 2018 8:29 pm

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
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setten
Posts: 4
Joined: Thu May 11, 2017 11:44 am

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

Post by setten » Wed Aug 15, 2018 9:59 am

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
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