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`LMAXFOCKAE`

`LMAXFOCKAE`= [integer] (maximum L quantum number for accurate charge augmentation in Hartree-Fock routines)

Default: `LMAXFOCKAE`=-1

`LMAXFOCKAE` sets the maximum angular quantum number for the
``accurate'' augmentation of charge densities in Hartree-Fock type routines.
Usually VASP restores only the *moments* of the all-electron charge density on the
plane wave grid (see previous flag) up to a certain radial quantum number.
It is, however, also possible to restore the *shape* of the charge density
accurately on the plane wave grid, using the flag `LMAXFOCKAE`.

This flag usually hardly changes the total energy or one-electron states,
since the one-center-terms are calculated exactly for most Hamiltonians
(the one-center-terms are defined as the difference between the
pseudized one-center-terms and the all-electron one-center-terms).
However for the following type of Hamiltonians, one-center-terms
are currently not implemented, or only approximately implemented.

- Thomas Fermi type screening (
`LTHOMAS`=.TRUE.)
- GW type calculations

In these cases, it is recommended to set `LMAXFOCKAE` to twice
the maximum radial quantum number found in the POTCAR file.
(for GW and RPA type calculations the default is
`LMAXFOCKAE`= 4, see Sec. 6.73.2).

N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at