[Wien] How close to overlapping RMT's is too close?

Leonardo Pisani pisani at itp.uni-frankfurt.de
Mon Sep 20 16:14:18 CEST 2004


Dear L.D.Marks,

I remember to have met such a problem and the inconsistency was that the zero 
of the forces didn't correspond to the energy minimum.
This could be due to GGA energy depence on MT radii. I suppose the problem 
shouldn't show in a LDA calculation....

Regards, Leonardo Pisani.




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