Most likely more k-points due to lower symmetries?
Of course, before asking you could do a diff of the output files
and figure it out?
nicola
On 24/07/2017 14:56, Masoud Rahbar wrote:
> Dear QE users
> I am calculating the elastic constants of a binary alloy. when the cell
> parameter is
>
> 6.78 0 0
> 0 6.78 0
> 0 0 6.89
> there is no problem, but when I change the cell parameter as the
> following I run out of memory.
>
> 6.85 0 -.03
> 0 6.85 -.03
> -.03 -.03 6.76
>
> Except the mentioned cell parameters everything else is the same in both
> inputs. Why is this happening?
>
> Bests
> Masoud Rahbar Niazi
> Tarbiat Modares University
>
>
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--
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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