Re: [SIESTA-L] %include 2 different blocks into %block PAO.Basis

I'm not completely sure I understood what you want, but I assume you'd have surf_basis_1.fdf, surf_basis_2.fdf, mol_basis_1.fdf and mol_basis_2.fdf, and then you'd like to make different combinations of those basis. Right. The easiest workaround to this would be to use shell scripts to combin

Re: [SIESTA-L] %include 2 different blocks into %block PAO.Basis

Hi Alexander, I'm not completely sure I understood what you want, but I assume you'd have surf_basis_1.fdf, surf_basis_2.fdf, mol_basis_1.fdf and mol_basis_2.fdf, and then you'd like to make different combinations of those basis. The easiest workaround to this would be to use shell scripts to com

[SIESTA-L] %include 2 different blocks into %block PAO.Basis

Thanks for the suggestion about using links for pseudos. Following my previous question: I model different molecules adsorbed on same surface, plus similar situation appears when using BSSE corrections or playing with different basis sizes between calculations - I would like to have bases in a