[QE-users] Negative pressure convention

[Matteo Cococcioni]

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 <
valitzelar at hotmail.com> 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
>
>
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-- 
Matteo Cococcioni
Department of Physics
University of Pavia
Via Bassi 6, I-27100 Pavia, Italy
tel +39-0382-987485
e-mail matteo.cococcioni at unipv.it <lucio.andreani at unipv.it>
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