[Pw_forum] Charge density as a percentage

[Stefano de Gironcoli]

a post-processing tool that can be used for that purpose is the 
projwfc.x code (check for it in the PP subdirectory) which calculates 
the  density of state projected on the atomic orbitals.
consider however that any decomposition of density in atomic 
contributions is somehow arbitrary and
you should not believe too much in the precise numbers you obtain

stefano

On 07/01/2012 07:08 PM, Gulcin Tetiker wrote:
> Hi All,
>
> I was just wondering if it is possible to calculate the charge percentage of li- graphene system. What i mean is that being able to calculate the charge percentage of lithium and graphene separately in the whole lithium-graphene system.
>
> Regards,
>
> Gulcin
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