Element name in posfile's POSCAR overrides mast_pp_setup designation and elementmap
The recipe may appear to have the correct element name, but the POTCAR file will be incorrect.
For example,
$structure
posfile POSCAR_generic
begin elementmap
X1 Mn
end
$end
If POSCAR_generic has element La, not element Mn, listed on its species line, then the recipe directory will show up as Mn, but the POTCAR file will actually be for La.
Element name in posfile's POSCAR overrides mast_pp_setup designation and elementmap The recipe may appear to have the correct element name, but the POTCAR file will be incorrect. For example, $structure posfile POSCAR_generic
begin elementmap X1 Mn end $end If POSCAR_generic has element La, not element Mn, listed on its species line, then the recipe directory will show up as Mn, but the POTCAR file will actually be for La.