[Wannier] wannier90 within LDA+U
Gianluca Giovannetti
gianluca.giovannetti at gmail.com
Thu Jun 17 06:11:31 CEST 2010
Dear All,
i have a simple question about results i can get from Wannier90.
suppose i perform LDA, PBE calculations with PW and then i combine the
output of PW with Wannier90 i can get in the file "..."_hr.dat all the
informations regarding hopping parameters and on-site energy of a set of
bands.
is this the same when i i perform LDA+U, PBE+U calculations with PW and
then i combine the output of PW with Wannier90?
by this i mean: can i get all the informations regarding hopping parameters
and on-site energy of a set of bands within LDA+U?
i think this is not possible but i would appreciate if someone can confirm
this statement.
i thank you in advance.
Gianluca Giovannetti
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