[Pw_forum] Question on pseudopotential
Sridhar Sadasivam
sridhu88 at gmail.com
Tue Aug 25 22:38:57 CEST 2015
Hello espresso users
I am working with a cobalt silicide material. I am thinking of using
Co.pbe-nd-rrkjus.UPF for Co along with Si.pbe-n-rrkjus_psl.0.1.UPF for Si.
Although both are PBE ultrasoft pseudopotentials, the pseudopotential for
Co was generated using the QE PP library while that for Si was generated
using the PS library. Is it okay to use these pseudopotentials (with
different origins) together in one calculation?
Thanks,
Sridhar
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