[Wien] Energy, forces and muffin tin radii

Leonardo Pisani pisani at itp.uni-frankfurt.de
Mon Nov 29 16:14:33 CET 2004


Dear WIEN users,

can anyone tell me what is the main reason why total energy variation values 
(for example  for different distorted structures of a certain compound) are 
much more sensitive to the choice of the muffin tin radii than the forces ?

Thank you very much.
Best Regards, 
Leonardo Pisani.




More information about the Wien mailing list