Hi,
You're probably using too large a box for its content, therefore Siesta senses enough empty space surrounding your atoms and thinks it is a (isolated) molecule. R. On Wed, 14 Nov 2012, Hakkim Vovusha wrote:
HI,I am doing force minimization calculation (periodic system) in siesta and I have found in the output Siesta: System type = molecule but i need to change the molecule into bulk i.e. Siesta: System type = bulk. Can any one help how to change these molecule into bulk.with regards hakkim
