[QE-users] R: Quantum espresso 7.1

[Pietro Davide Delugas]

Hello
The error might be due to a bug that has been fixed one month ago. The fix will be present in the next release.
In the meantime,  if you are using v7.1, you can apply the fix using the patch in attachment and recompile pw
to apply the patch, you can use the patch command like this:

patch -p1 < patch.diff

best regards
Pietro

________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di Tom Demeyere <T.Demeyere at soton.ac.uk>
Inviato: mercoledì 26 ottobre 2022 16:45
A: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Oggetto: Re: [QE-users] Quantum espresso 7.1

Dear Maria,

I got this error a few weeks back when trying to run a calculation with ibrav = -13 on 7.1. I ended up using 7.0 where the problem does not occur

-----------------------------------------
Tom Demeyere MSc
PhD student
Skylaris Research Group
School of Chemistry, University of Southampton

On 26 Oct 2022, at 15:05, Maria Fumanal Quintana <mfumanal at ub.edu> wrote:

<PTZ_LS-scf.input>

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