w90kpts

The generation of Wannier functions requires the Bloch eigenvectors of the full Brillouin zone. However, to save computational time, it is possible to generate the Bloch eigenvectors in Fleur for only a reduced part of the full Brillouin zone and to calculate the missing eigenvectors by applying the symmetry operations. In this case, two k-point files are needed: "w90kpts", which holds the entire Brillouin zone, and kpts.xml, which holds only the reduced part. If the symmetry is not exploited to reduce the number of k-points, the file "w90kpts" is not needed and the switch bzsym should not be specified in the JobList for Wannier functions in inp.xml.