[QE-users] memory problem

[Michal Krompiec]

Dear Neelam,
I am by no means an expert, but from my limited experience I can say that
4GB of RAM is not a lot, to put it mildly - but at the same time, your
system isn't large. In this case, I wouldn't use any parallelization on
k-points (pw.x -npool 1) and make use of symmetry as much as possible
(correct ibrav instead of ibrav=0). You can save memory by reducing ecutwfc
(at the expense of accuracy) - so try choosing pseudopotentials which give
you desired accuracy at the lowest ecutwfc (use
https://www.materialscloud.org/discover/sssp to guide you).
Best,
Michal

On Mon, 6 Jul 2020 at 10:27, Neelam Swarnkar <neelamswarnkar35 at gmail.com>
wrote:

> Dear expert and all
>
> I am making the supercell of 2x1x1 total 24 no of atoms, and perform scf
> calculation .but there is memory related problem currently i am using 4gb
> RAM.
>
> What can i do to solve this problem?
>
> Thanks in advance
> Neelam
>
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