[QE-users] Atomic velocities units

[valeria arteaga muñiz]

Hello Lorenzo,
Thanks for your reply. This is also for the pw.x code, right?

Best,
Valeria

From: Lorenzo Paulatto<mailto:paulatz at gmail.com>
Sent: Thursday, July 29, 2021 11:18 AM
To: Quantum ESPRESSO users Forum<mailto:users at lists.quantum-espresso.org>
Cc: users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Atomic velocities units

It depends on which units you have specified for atomic positions. Regarding time,
1 a.u.=4.8378 * 10^-17 s

kind regards

--
Lorenzo Paulatto - Paris
On Jul 29 2021, at 5:20 am, valeria arteaga muñiz <valitzelar at hotmail.com> wrote:
  Hello everyone. I am trying to perform a MD run using the pw.x code. I'd like to use the atomic positions and also velocities from another run in Angstroms and Å/picoseconds to the QE input, but I am not sure about the units I need to use. In the documentation, there says it should be atomic units, and when I read the co.c documentation it was the same, but in the description they mentioned we needed to use the units as they're in the atomic positions card and time in a.u. does anyone have an idea of what convertion should I use?
Thanks for your time
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