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