[Pw_forum] [Reg] Supercell relaxation is stopping without giving any error for larger super-cell on cluster.

[Dae Kwang Jun]

Dear Mahabul,

It is possible that your computer lacks memory or processing power. Try
repeating the calculation in a better computer or reduce the ecutwfc,
ecutrho, or k points.

Sincerely,

Dae Kwang Jun

On Thursday, 4 August 2016, Md Mahabul Islam <mhblslm59 at gmail.com> wrote:

> Greetings Pwscf users & developers,
> I am doing relax calculation for 3x3x3 its giving some output without any
> error.But while doing relaxation for 4x4x4 its stopping without giving any
> error in iteration one.
> What might be the possible reason?? Am I missing something? Should I
> change any default parameter??Is there any limitation on the size or number
> of the atoms of the supercell for Q.Espresso??
> Thanks in advance,
> MMI,
> IIT Madras,
> Chennai,India
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160807/f0c3988c/attachment.html>