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 <[email protected]> per conto di Tom Demeyere <[email protected]> Inviato: mercoledì 26 ottobre 2022 16:45 A: Quantum ESPRESSO users Forum <[email protected]> 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 <[email protected]> wrote: <PTZ_LS-scf.input>
patch.diff
Description: patch.diff
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