[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.
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