[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://www.democritos.it/pipermail/pw_forum/attachments/20110322/3ba08cc2/attachment.htm 


More information about the Pw_forum mailing list