[Pw_forum] charge density difference 1

[Hande Ustunel]

Because they are different systems, you should first do three scf
calculations : One with the combined system and two with the
components. Make sure the components are located in the same location as
they are in the combined system. 

Best,
Hande

On Wed, 4 Jun 2008, wangqj1 wrote:

>  Thanks for your advice about charge density difference .
>  but I still have a problem :
>  whether I get the filepp(1)='ZnOcharge',filepp(2)='ZnOcharge',filepp(3)='Ocharge'in one 'scf' or I must do them seperately (i.e,three times) ?
> thank you !
> 
>  
>  
>  

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Hande Ustunel
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