[Wien] a strange question about GGA+U
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.be
Sun Sep 2 09:08:19 CEST 2007
> Thank you for your time and clear answer, i want to know
> whether the results depend on case.clmcorup/dn, case.clmvalup/dn and
> case.clmscup/cn files. I think they shouldn't, but the results seem
> to depend on them.
Indeed, they don't. What makes the results different in your cases is
the presence of a converged dmat file in one case, and a different
(initial) dmat file in the other case.
Stefaan
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