Hi Aulia,
In general, it is difficult to figure out your problem without the input and
output files.
However, maybe this will help:
In the species block, you must include everything in the file name except
the extension, eg:
%block ChemicalSpeciesLabel
1 6 C.tm2
2 6 C.hsc
%endblock ChemicalSpeciesLabel
Cheers,
Marty
On 3 November 2010 09:42, Aulia Hutama <[email protected]> wrote:
> Dear all,
>
> I'm a new user of Siesta
> I'm about to calculate carbon based material such as diamond and carbon
> nanotube
>
> when run the program, I used the C pseudopotential from the Tutorial
> directory, either C.hsc.psf or C.tm2.psf, it stopped working. It said
> "Please generate the pseudopotential"
>
> Can anyone tell me how to solve this problem?
>
> Regards,
> Aulia Sukma Hutama
>
>
