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Dear Administrator and Forum,

we would like to understand how LDA+U is working: testing the scheme on a very simple system as 2D hydrogen.
Can VASP be used to make the calculations with LDA+U for s states?
i see that in the manual:

http://cms.mpi.univie.ac.at/vasp/vasp/node162.html

LDAUL = L .. $l$-quantum number for which the on site interaction is added(-1: no on site terms added, 1: p, 2: d, 3: f, Default: LDAUL = 2)

LDAUL=0 is performing LDA+U on s states?

please let me know.
thank you in advance.

Gianluca

i would also be interested in applying U on the s states.

i can see that the occupied eigenvalue (i just tried one H atom in vacuum to start with) changes linearly with U when you do LDAUL = 0 so I guess this is implemented, but not described in the manual.
<span class='smallblacktext'>[ Edited Thu Mar 08 2012, 11:07AM ]</span>