Dear SIESTA users, I am currently working on the adsorption of some molecules on a garnet surface. My calculations on the bulk structure of the garnet using SIESTA are working quite good, but when I try to converge a slab model (adding vacuum on one axis) the calculations are not converging. I tried to use Slab.DipoleCorrection with the avaiable different options but none of them are converging.
I would really appreciate some guideance to improve my results. Thank you in advanced. Best regards, Diego
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
