Re: [SIESTA-L] for bulk optimization

[김명자]

OK. Thank you.

Joonho

2009/6/20 

>  Hi,
>
>  You could use even a single atom (non cubic) cell for Au.
>  Bye, bye,
>  R.
>
>
> > Dear siesta users
> >
> > Would anyone serve a test code for bulk optimization?
> > For the lattice optimization for fcc, Au, for example, just 4 atom in
> unit
> > cell is enough or should I define supercell?
> >
> > Best wishes,
> >
> > Joonho
> >
>

Re: [SIESTA-L] for bulk optimization

[pasianot]

 Hi,

 You could use even a single atom (non cubic) cell for Au.
 Bye, bye,
 R.


> Dear siesta users
>
> Would anyone serve a test code for bulk optimization?
> For the lattice optimization for fcc, Au, for example, just 4 atom in unit
> cell is enough or should I define supercell?
>
> Best wishes,
>
> Joonho
>