[Wien] A question about LDA+U

[Stefaan Cottenier]

> In WIEN2k web/reg users/known limitations and bugs of WIEN2k, was
> written "In LDA+U calculations forces are not yet implemented", but
> in scf files of LDA+U calculations we see forces .Are these quantities
> wrong?

Indeed. This is similar to the situation of spin-orbit coupling: forces
do appear in case.scf, but they are not correct if spin-orbit is used
(or if LDA+U is used). Sometimes the error is small, sometimes it is
terribly large.

Stefaan