The full explanation can be found on the Manual. Briefly these parameters are called the region 1 and region 2 depths. Size of region 1 is chosen so that some properties are converged and region 2 big enought so that the atoms represent the effect of the bulk upon the atom in region 1. The sum of the 2 regions give the total numbers of layers;
David "Pocket" Cornil PhD Student - FNRS Research Fellow Laboratory for Chemistry of Novel Materials (CMN) University of Mons 20 Place du Parc 7000 Mons BELGIUM ________________________________ De : Fen Hong <[email protected]> À : [email protected] Envoyé le : Lun 29 mars 2010, 13 h 10 min 33 s Objet : Re: Re : Re : [SIESTA-L] the reason i cannot use surface tab in the gdis Hi，Dear David , but what's the meaning about the depth in surfaces-depths. I think the depth is for the layer of the surface.why it has two variable?
