Dear Siesta users, I am trying to investigate some GaN surfaces. For that I need to deal with pseudohydrogens atoms (with fractional charges: 1.25e, 0.75e). I would like to know if it is possible to generate pseudo potentials of these atomes with ATOM code !!! And doses sisesta can deal with fractional charged atoms !!?,
Any information about that is appreciable !! Thank you in advance !! Imad --------------------------------- Découvrez le nouveau Yahoo! Mail : 250 Mo d'espace de stockage pour vos mails ! Créez votre Yahoo! Mail
