Dear Valeria, negative pressures mean that the lattice wants to contract (the energy is lower at smaller volumes)
Best, Matteo Il giorno mar 19 ott 2021 alle ore 05:24 valeria arteaga muñiz < [email protected]> ha scritto: > Hello everyone, > > > > I am trying to run some MD with pw.x, and I am modifying the lattice > parameter of my cell until I reach 60 kBar. However, I was noticing that it > printed some negative pressures. I was wondering if the convention is that > negative pressure indicates expansion, or what would be the case? > > > > > > > > Thank you in advance, > > > > Valeria > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Matteo Cococcioni Department of Physics University of Pavia Via Bassi 6, I-27100 Pavia, Italy tel +39-0382-987485 e-mail [email protected] <[email protected]>
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