|
General.NumberOfSpecies 1
|
|
General.PSFormat hgh
|
|
General.SolverStep 0.2
|
|
|
|
%block SpeciesLabels
|
|
1 Co
|
|
%endblock
|
|
|
|
%block Co
|
|
Atom.PseudopotentialFile Co.hgh
|
|
Atom.ZetaForm com
|
|
Atom.Perturbative_Polarised F
|
|
Atom.dE_large_radius_semicore_hgh 0.0001
|
|
Atom.Cutoffs en
|
|
%endblock
|