[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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