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The PRJCAR file stores the output of the k-point projection scheme (for LKPROJ=.TRUE.).

It has the following format:

  • The header section lists the basis vectors of the reciprocal space belonging to the structure defined in the POSCAR.prim file, and a list of the set of points {k′}, the projection scheme has found in the irreducible part of the Brillouin (IBZ) zone of the aforementioned reciprocal space cell (see the section on LKPROJ).
  • The body of the PRJCAR file lists:
where n is the band index, k labels the NKPTS points in the IBZ of the structure defined by the POSCAR file, σ is the spin index, and k′ refers to the NKPTS_PRIME points in the IBZ of POSCAR.prim (see the section of LKPROJ).
For each band n at kσ the body of the PRJCAR lists the index n and eigenenergy εnkσ, followed by one or more rows with a total of NKPTS_PRIME entries Knkσk′, one for each point k′.

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