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

[L. D. Marks]

I have indications from a minimization that the energy/forces can be
slightly inconsistent if two atoms are too close but still far enough
apart that the RMT's are not overlapping. Has anyone else noticed this?

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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2225 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
mailto:L-marks at northwestern.edu
http://www.numis.northwestern.edu
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