Oh sorry, I should have looked at this page:
http://staff.aist.go.jp/t-ozaki/vps_pao2006/vps_pao.html
There plenty of pseudos available for most elements, so just useful to
take core radii from wrote:
Dear Vasilii,
thank you for the information. Yes, there are some input file
templates availab
Dear Vasilii,
thank you for the information. Yes, there are some input file
templates available together with ADPACK sources, so I can take cutoff
radii. Unfortunately, not all the elements I need are available.
I put below the link for other users to make use of this:
http://staff.aist.go.jp/t-
I think that you could use the radii from Dr. Ozaki's database of
pseudopotentials for OpenMX. Since the method is essentially the same, and
the database is said to be more or less tested, everything should be OK,
although I didn't have the time to try this myself yet. You can find the
parameters
The important thing is to take cutoff radii somewhere close to the
wavefunction maximum.
The LDA and GGA wavefunctions won't differ that much in terms of maxima
positions.
So LDA input would be a good starting point for GGA pp generation.
If you are talking about NLCC core radii, I suggest you
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