** Next:** Interface pinning
** Up:** The INCAR File
** Previous:** Chemical Shifts
** Contents**
** Index**

*N.B. This document is no longer maintained, please visit our wiki.*
##

k-point projection scheme

`LKPROJ`=`.TRUE. | .FALSE.`

Default: `LKPROJ`=.FALSE.

For `LKPROJ`=.TRUE., VASP will project the orbitals onto the reciprocal space of an alternative unit cell.
This unit cell has to be supplied in the file `POSCAR.prim`, in the usual `POSCAR` format.

As a first step, the -point projection scheme determines the set
, of -points in
the irreducible part of the first Brillouin zone of the structure given in `POSCAR.prim`, for which

where and are reciprocal space vectors in the reciprocal spaces of the structures
specified in `POSCAR` and `POSCAR.prim`, respectively.
As usual, the set of points
is specified in the `KPOINTS` file.
The set
is written to the `OUTCAR` file.
Look at the part of the `OUTCAR` following `NKPTS_PRIM`.
Once the set
has been determined VASP will compute the following

and writes this information onto the `PRJCAR` (see Sec. 5.22) and `vasprun.xml` files.
provides a measure of how strongly the orbital
contributes at the point in the reciprocal space of
structure `POSCAR.prim`.

One may, for instance, use this scheme to project the orbitals of a supercell onto
the reciprocal space of a generating primitive cell.

**N.B.**: at the moment the -point projection scheme only works with `NPAR`=1.

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