projgen

The setup of the proj file by hand can be rather cumbersome for huge systems, because the initial projections for every atom in the unit cell, for which MLWFs should be constructed, need to be specified. Consequently, the following procedure may be more convenient: Specify the key projgen in the wannier jobList in the inp.xml file and write down the projections for the chemical symbols in the file projgen_inp using a simplified notation.