Hi, Have a look at */atom/Contrib/atom_table.txt (TM pseudos form JL Martin himself).
On 07/05/2017 09:45 AM, Fen Hong wrote:
Dear Siesta-users How to deal with the Pseudo-potential for alkali atoms? As we know, there is only one electron on the valence part.Â
No problem, just include "semi core states" into the valence.
It seems impossible to calculate the alkali atoms ions. Also, for the heavy alkali atoms, they have a large polarizable core. Pseudo potential  with just one electron may not work well.
The basis for the DFT calculation can include polarization orbitals, check the manual. Regards, Roberto
