[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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