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>
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
