[Pw_forum] Pseudopotentials to be used

[Mitul Mundra]

Hello,

I am a beginner in DFT calculations and I am studying Li diffusion in Si. I
am confused at the moment about which pseudopotential should I use. Can
someone suggest some pseudopotentials for Si and Li which I can use for my
calculations? Also, what should be the criteria in choosing a
pseudopotential in general?

Thanks
Mitul Mundra
Final year dual degree student
Department of Chemical Engineering
IIT Kanpur
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