[Pw_forum] core radius of pseudopotential for which matches real wave function

mike at. mikeat4999 at gmail.com
Tue Mar 22 19:11:02 CET 2011


hi,

how can i tell the core radius ( cuttoff radius) ,  r_c , at which a pseudo
potential is valid? ir for something like  B.pz-vbc.UPF, how can i find out
from which values the pseudo matches the *real* wavefunction?

Regards
M. O. ATAMBO.
Undergrad , Moi University
Chepkoilel University college
Kenya.
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