[Pw_forum] CP simulation with ensemble-dft algorithm

[pascal boulet]

Dear Nicola,

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).

Regards

Pascal


    *
    * Anglais
    * Français

    * Anglais
    * Français

<javascript:void(0);>