[Pw_forum] PBE usoft Mg ?

H.S.Domingos hsd22 at hermes.cam.ac.uk
Mon Apr 3 15:06:40 CEST 2006


Dear All,

I would like to ask if anyone has used a PBE usoft potential for Magnesium 
with PWSCF ?

I have tried to find one and could not. Are there any impediments in 
the generation of a potential of this type for Mg ?

Best regards,

Helder


=======================================================================
|  Dr. Helder S. Domingos                                             |
|                                                                     |
| INESC Microsyst & Nanotechnol, Lisbon, P-1000 Portugal              |
| and                                                                 |
| R&D unit for  Molecular Chemical Physics                            |
| Chemistry Department, University of Coimbra                         |
=======================================================================




More information about the Pw_forum mailing list