[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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110322/3ba08cc2/attachment.html>
More information about the users
mailing list