[Pw_forum] CP simulation with ensemble-dft algorithm
pascal.boulet at univ-provence.fr
Mon Jun 20 10:53:52 CEST 2011
I confirm that I have no problem to converge the density with the
ensemble-DFT algorithm. I am working on silver nanoparticules. With a
small one (13 atoms only) the convergence is reach within 10 cycles. I
am going to try with a bigger one soon (38 atoms).
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