[Wien] Energy, forces and muffin tin radii

Leonardo Pisani pisani at itp.uni-frankfurt.de
Mon Nov 29 17:50:03 CET 2004


Dear Prof Cottenier,

thank you for your reply.
Let me pleae ask you a further question:
when the muffin tin sphere become almost touching ( within a  structure 
optimization) and produce inconsistency between energy differences and forces,
can we still rely on the forces vaules while discarding the energy difference 
ones?

Thank you very much.
Best Regards, 
Leonardo Pisani.




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