AllElectronType
AllElectronType
Section System::Species
Type integer
Default no
Selects the type of all-electron species that applies by default to all
atoms. This is not compatible with PseudopotentialSet, but it is
compatible with the Species block.
Options:
- no:
Do not specify any default all-electron type of species. All species must be
specified in the Species block.
- full_delta:
All atoms are supposed to be by default of type species_full_delta.
- full_gaussian:
All atoms are supposed to be by default of type species_full_gaussian.
- full_anc:
All atoms are supposed to be by default of type species_full_anc.