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I did some LDA+U calculations on GaAs and Ge separately taking as U parameter for both some values I found in previous literature.

Now I want (would) to add on site Coulomb correction for d orbitals for both Ga and Ge in the same INCAR

POSCAR ordering is: Ga Ge As

This is my INCAR

ISTART=0
ISMEAR=-5
PREC=High
EDIFF=1E-5
EDIFFG=-0.01
ISIF=3
ISPIN=2
IBRION=1
ADDGRID=.True.
ENCUT=287.594
ENAUG=531.356
LDAU=.TRUE.
LDAUTYPE=2
LDAUL=2 2 -1 -1 -1 -1 ! -1 no onsite terms added, 2:d
AMIX = 0.2
BMIX = 0.0001
AMIX_MAG = 0.8
BMIX_MAG = 0.0001
LDAUU=16.5 1.9 0.0 0.0 0.0 0.0
LDAUJ=0.0 0.0 0.0 0.0 0.0 0.0

I am a little bit confused on how LDAUL must be specified. In the way I did I wonder if I correctly input the only on-site d Coulomb correction I want to input for Ga and Ge, being U values (LDAUU) 16.5 and 1.9 eV for Ga and Ge respectively.

if I set like I did

LDAUL=2 2 -1 -1 -1 -1 ! -1 no onsite terms added, 2:d
LDAUU=16.5 1.9 0.0 0.0 0.0 0.0
LDAUJ=0.0 0.0 0.0 0.0 0.0 0.0


am I correcting for Ga d orbitals & Ge d orbitals according to LDAUU vakues reported? Must I swap some values?
I did in this way since 3d4s4p is the ordering of PAW POTCAR for both Ga and Ge

Manual does not help me. Has anyone previous experience of on-site correction of different atoms in the same INCAR? I am a little bit in trouble....

Thanks,
G

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