[DFTB-Plus-User] simulation requirement

[ABDELILAH FARAJI]

Hello Ben,
We have made simulations with our kinetic Monte-Carlo model of the growth
of quantum dots(InAs/GaAs, CdTe/GaAs,InAs/InP) and I want to make an
optical characterization like PL or absorption, the output of our code is
the position of the atoms (about 100*100*100 atoms )and their local
deformation.
Best regards

Abdelilah

Le ven. 28 août 2020 à 11:10, Ben Hourahine <benjamin.hourahine at strath.ac.uk>
a écrit :

> 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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> --
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-- 

Abdelilah Faraji

MEER/LETSER – Faculté des Scicences d’Oujda (FSO) –Université Mohammed
Premier – Oujda/Maroc
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