[CPMD-list] surface problem

[Thierry Deutsch]

Hello Xiang Yang,

      I don't know what is suitable for you to simulate a
transition metal surface problem, but the answer to your
question is yes.

Nevertheless the simulation of transition metal surface is
difficult because the convergence is very bad.

Good luck,
                Thierry Deutsch

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Thierry Deutsch                                                        
Laboratoire de simulation atomistique (L_Sim)
DRFMC/SP2M                                      Tél:(33) 04 38 78 34 06
C.E.A.Grenoble                                  Fax:(33) 04 38 78 51 97
17, Avenue des Martyrs                           mailto:TDeutsch at cea.fr
38054 GRENOBLE CEDEX 9 FRANCE              http://www-drfmc.cea.fr/SP2M
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