|
General.NumberOfSpecies 1
|
|
General.PSFormat hgh
|
|
|
|
%block SpeciesLabels
|
|
1 Pd
|
|
%endblock
|
|
|
|
%block Pd
|
|
Atom.PseudopotentialFile Pd.hgh
|
|
Atom.ZetaForm com
|
|
Atom.Perturbative_Polarised F
|
|
Atom.dE_small_radius 0.02
|
|
Atom.dE_large_radius_semicore_hgh 0.00003
|
|
Atom.Cutoffs en
|
|
%endblock
|