[Pw_forum] About Pseudo-Potential generation
Paolo Giannozzi
giannozz at nest.sns.it
Fri Jan 26 13:40:55 CET 2007
On Jan 25, 2007, at 13:44 , Lawrence Lee wrote:
> In my example, some may use [Ne]3s1.5 for Mg. And you said that
> this is
> for computational convenience. Can you elaborate more on this point?
see atomic_doc/pseudo-gen.tex
> By the way, if this config is used, should I correspondingly set
> zval=1.5
no, you shouldn't
---
Paolo Giannozzi, Democritos and University of Udine, Italy
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