[Pw_forum] About cut-off energy

[Luke Shulenburger]

Hello,

You appear to be new to this mailing list and probably new to density
functional theory as well.  Welcome.  The answer to your question is
definitely no.  The plane-wave cutoff is highly dependent on the
nature of the pseudopotential used for each species in your
simulation.  There may be recommended cut off values for each of the
pseudopotentials that you are using and then you should start with the
largest of those values.  If you are not familiar with these concepts
I would recommend the book Electronic Structure: Basic Theory and
Practical Methods by Richard Martin or any number of review articles
that might be suggested by members of this list.  Good luck.

Luke Shulenburger
Geophysical Laboratory
Carnegie Institute of Washington

PS  It is customary on this list to include your name and affiliation
in all messages.

On Thu, Aug 6, 2009 at 1:01 PM, Caloma Trumica<spmmal at gmail.com> wrote:
> Dear All,
>
> I would like to know whether there is some default plane-wave cut-off energy
> starting to test for each element.
>
> Thanks.
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