How can the partial DOS be resolved into irreducible representations (IR) like eg and t2g?
The partial DOS file PDOS_Sss_Aaaaa.OUT contains (l,m)-resolved projections which correspond to the IR of the site symmetry for atom aaaa of species ss. To find out which projections belong to the same IR, consult the file ELMIREP.OUT. This file lists the eigenvalues of a random matrix in the spherical harmonic basis which has been symmetrised with the site symmetries. Degenerate eigenvalues indicate which projections belonging to the same IR. This feature can be switched off by setting lmirep to .false.