[CPMD-list] optimization on graphite

Natasa Mateljevic natasa.mateljevic at yale.edu
Tue Jun 11 18:12:44 CEST 2002


Hi,
I am having problems optimizing the geometry of graphite, cpmd totally
reshuffles things around and the optimizied structure is not graphite.
I am wondering if anybody has done that successfully and could help me
out.
Thanks, Natasa




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