LDAUL

From VASP Wiki

LDAUL = [integer array]
Default: LDAUL = NTYP*2 

Description: LDAUL specifies the l-quantum number for which the on-site interaction is added.


For LDAUL=-1 no on-site interaction is added.

Mind: one has to specify one number for each atomic species.

Related Tags and Sections

LDAU, LDAUTYPE, LDAUU, LDAUJ, LDAUPRINT

Example Calculations using this Tag

Constraining the local magnetic moments, Determining the Magnetic Anisotropy, Estimation of J magnetic coupling, Including the Spin-Orbit Coupling, NiO GGA+U, NiO LSDA+U


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