[SIESTA-L] Atomic energies and BSSE

[John Appleton]

Dear users,
   
  first I want to know how to compute the energies 
  of free atoms and molecules in SIESTA so as to 
  compute the cohesive and adsorption energies. 
  Secondly, I wish to know how to compute BSSE 
  in adsorption calculations.
   
  Thank you.
   
  J. Appleton