[Pw_forum] pseudo potential
saman ghaderyan
ghaderyan at gmail.com
Tue May 29 23:38:21 CEST 2007
hi
i have a question about format
Perdew-Zunger (LDA) exch-corr
when i attention to this file
nl pn l occ Rcut Rcut US E pseu
4S 0 0 2.00 0.00000000000 0.00000000000 0.00000000000
4P 0 1 1.00 0.00000000000 0.00000000000 0.00000000000
why pn ,Rcut and RCut US are zero!,
and i would like product (NC-LDA)for Zn what format is better.
(i exam it but when i test the result aren't true)
tanx alot.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20070530/b4fba9ec/attachment.html>
More information about the users
mailing list