Dear SIESTA Users, Because of using the numerical basis set leads to a nearly perfect for basis set for the separated atoms, I think it must be very small basis set superposition error in SIESTA. If is correct, we don't care for BSSE problem when using SIESTA? Regards,
Nguyen, Ngoc Ha Hanoi National University of Education Faculty of Chemistry Department of Physical Chemistry Tel: Office: 04/8330842 Home: 04/7891674 Mobile: 0989133436