triqs_dft_tools.converters.plovasp.inpconf.ConfigParameters.parse_string_ion_list

ConfigParameters.parse_string_ion_list(par_str)

The ion list accepts the following formats:

1). A list of ion indices according to POSCAR.

The list can be defined as a range ‘9..20’.

2). A list of ion groups (e.g. ‘[1 4] [2 3]’) in which

case each group defines a set of equivalent sites.

3). An element name, in which case all ions with

this name are included. NOT YET IMPLEMENTED.

The second option requires an input from POSCAR file.