Dear all,
I am working on the system made of Ag, S, C, H atoms. I could found on the
PWscf website, the normconserving pseudopotentials (ncpp) with PZ xc function
for S, C, H atoms but not for Ag . Ultrasoft pseudo potential with PZ xc
function is available there. Can anybody provide me ncpp with PZ
exannge-correlation function for Ag.
If I use uspp along with ncpp in the calculations, which would be changes in
the values of ecut and ecutrho? {I read in wiki that hardest atom ecut should
be used but what if the hardest atom is of uspp type? what about ecutrho?}
Thank you.
Sagar Ambavale
PhD student
M.S. University of Baroda
India
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