Peter Klason Tue, 19 Oct 2004 10:03:37 +0200 (CEST)
Dear all,
I am doing a calculation on vacansy and defects in ZnO, these vacansies and defects can be charged. Is it possible to give a defect a charge in SIESTA, i.e. give a O-vacansy the charge +1 e? Best regards Peter