[DFTB-Plus-User] simulation requirement

[Ben Hourahine]

Hello Abdelilah,

can you supply some more details about the system and what you want to
calculate?

This number of atoms, if the system is suitable, should be treated with
a linear scaling method. But depending on the details (is there a band
gap; is it a molecular agregate, 1D or dense 3D structure) you will
probably need several thousands of CPUs.

Regards

Ben

On 28/08/2020 02:55, ABDELILAH FARAJI wrote:
> Hi dear
> how many CPUs to simulate 100*100*30 atoms structure??? 
> -- 
>
> Abdelilah Faraji
>
> MEER/LETSER – Faculté des Scicences d’Oujda (FSO) –Université Mohammed
> Premier – Oujda/Maroc
>
>
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-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
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