OK. Thank you. Joonho
2009/6/20 <pasia...@cnea.gov.ar> > Hi, > > You could use even a single atom (non cubic) cell for Au. > Bye, bye, > R. > > > > Dear siesta users > > > > Would anyone serve a test code for bulk optimization? > > For the lattice optimization for fcc, Au, for example, just 4 atom in > unit > > cell is enough or should I define supercell? > > > > Best wishes, > > > > Joonho > > >
