Input Files

As a minimal setup, PWmat requires the user to prepare the following input files: etot.input, atom.config, pseudopotential file (for example: Si.SG15.PBE.UPF).

If present (in the directory where the calculation runs) the following output files of previous runs may be read as restart information OUT.WG and/or OUT.RHO

(Note: you must rename IN.WG and or IN.RHO, and add the tag “IN.WG = T” and/or “IN.RHO = T” in etot.input).

Some specific features of PWmat require additional output files.