[Wien] LDA+U asking again

[Tulika Maitra]

Dear Wien-users,

I sent an e-mail to WIEN-mailing list few days back regarding
density matrix, but didn't receive any response yet. So I am writing 
again.

I have a few questions regarding LDA+U which I am giving below and I 
will very thankful to receive an answer.

1. In LDA+U (FLL) where now Ueff=U-J is implemented which are the terms
that are neglected? If I want to do a calculation keeping terms
proportion to J (I mean, as implemented in the old version) can I do
that? This is because, I am getting strange results for my system with new 
LDA+U (Ueff) version  whereas the old version is giving me physically sensible
results. But in some other systems I tested, it works fine. So I am 
wondering if it could be that in my case the terms proportional to J could 
be important.

2. In LDA+U (AMF), how is it implemented? Is it also Ueff=U-J or finite
U and J like in the old version?

3. I am working with a system having inversion symmetry but I still get 
a complex density matrix with the new version, what could be the reason?
In my last e-mail I have sent the density matrices I got.


Thanking you very much for your reply.

-best regards
Tulika Maitra