Dear users,
I am working on metal-organic complexes on surfaces. The
metal part of the metal-organic complex is Th. I searched for the Th PP in
the pseudopotential library. I found a few ultrasoft pseudopotentials with
a minimum suggested wavefunction cut off of 103 Ry. I want to run a large
system of this Th metal-organic complex. In such a scenario, I need an
ultrasoft pseudopotential of Th with lesser cutoff. Is it possible to get a
PP of Th with lesser cutoff? All kind of suggestion will be beneficial for
me.
Abhishek Kumar Adak
PhD Student
JNCASR
Jakkur, Bangalore
India,560064.
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