[Wien] AFM calculation-reg.

[Murugan Sundareswari]

Dear All,

I would like to know whether the foll.steps for AFM calculation for
strongly correlated system is okay...

1. Initially we have made the structure file with Dy which is AFM and
strongly correlated.
2. For this we have chosen PBE + U...volume optimization is done. New
optimised lattice parameters are considered and only with this new lattice
parameter we are dong AFM calculation....running scf...then the band or dos
.....is it okay?

3. or else we have to do PBE + U + AFM...but the problem here is we are not
able to get volume optimization with AFM.

Please if you come across /have done anything on AFM..pl give your valuable
i/ps....

Thanking You,

sundare
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