Hallo Konstantin,
I think you mix up several things. The choice of pseudopot is one thing
and a treatment of charged system is another.
The pseudopot has nothing, or in a very indirect way if at all,
to do with whether your system will be charged or not. In ideal case,
the pseudopot is supposed
Dear SIESTA users,
I'm trying to investigate the influence of charged defects
on structural and electronic properties of some ferroelectric crystals.
For this purpose I need to construct a pseudopotential for the Ni +2 ion.
But I'm not sure in the way of choosing the valence and core states of
grasies. No hace falta quitarlo, lo vamos a divulgar pronto.
Emilio
Óscar Paz wrote:
yes, the database is cached by google. a search with the string
siesta manganese pseudopotential gives only 2 pages of results and
provides access to the webpage. it's possible to clear the google's cache:
3 matches
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