[RMCProfile-users] Configuration density for Nanoparticles
Christopher J. Wright
christopher_wright at brown.edu
Mon Jan 6 17:18:23 GMT 2014
Hi all,
I am using RMCProfile to simulate the PDF of a 8.5nm FePt nanoparticle.
However, it seems that the configuration density calculated by the program
is too small by an order of magnitude. The NUMBER_DENSITY command does not
seem to overrule the program's configuration density calculation. How is
the "configuration density" calculated? Am I not performing the calculation
properly? Is there a way to solve this issue?
Thank you very much,
Christopher J. Wright
Brown University Chemistry Department
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