The ABINIT Users Mailing List ( CLOSED )

[mperez@mpi-halle.mpg.de]

hi,

since there is interest in LDA+U, and i've seen other queries on spin-orbit
calculations for magnetic systems, let me reccommed 2 freely available DFT
codes with these capabilities:

1. LMTART (but this is FP-LMTO, not only planewaves)
2. EXCITING (but this is FP-LAPW, not only planewaves)

Both come with a good collection of examples

Sorry, i cannot remember websites, you have to find them yourselves

Manolo

PS if you want ASA instead of full-potential, LMTART has it also





>
>  Hello all,
>
>  I was wondering whether ABINIT could do LDA+U calculations?
>  If yes, how? Helps are appreciated. Thank you.
>
>  Kind regards,
>  jeff
>
>  ps: Sorry for this line of question. I could not find the
>  answer in the archive of this list or in the abinit homepage.
>