[CPMD-list] Platinum input
Leandro Moreira de Campos Pinto
lmoreira at fc.unesp.br
Tue May 29 20:05:09 CEST 2007
Dear people,
I'm new in simulations and I would like some help. Anybody could help
me to set a simple input for a platinum unit cell? I want to optimize
the geometry, calculate the fermi energy, obtain the DOS projections
etc.
Regards,
Leandro
--
**************************************************
* Leandro Moreira de Campos Pinto *
* Grupo de Eletrocatálise e Reações Superficiais *
* Departamento de Química *
* Faculdades de Ciências, UNESP, C.P. 473 *
* Bauru, SP, CEP 17033-360, Brasil *
* lmoreira at fc.unesp.br *
* http://www.fc.unesp.br/grupo_dafc *
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