perturbopy.generate_input.generate_input.set_default

perturbopy.generate_input.generate_input.set_default(param_name, param_data, executable)

Define the default value for the provided calculation parameter

Parameters:

• param_name (str) – name of the considering parameter

• executable (str) – name of the executable module (‘perturbo’ or ‘qe2pert’)

• param_data (dict)

Return type:

default or typical value of the corresponding parameter