[QE-users] Atomic velocities units

valeria arteaga muñiz valitzelar at hotmail.com
Thu Jul 29 17:41:25 CEST 2021


Hello Paolo,
I mean, the description of the atomic velocities card as implemented in the cp.x code. I attach a screenshot of that below.

Valeria
[cid:image003.png at 01D7845D.BEF82F40]

From: Paolo Giannozzi<mailto:p.giannozzi at gmail.com>
Sent: Thursday, July 29, 2021 12:29 AM
To: Quantum ESPRESSO users Forum<mailto:users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Atomic velocities units

On Thu, Jul 29, 2021 at 5:21 AM valeria arteaga muñiz <valitzelar at hotmail.com<mailto:valitzelar at hotmail.com>> wrote:

but in the description they mentioned we needed to use the units as they're in the atomic positions card

which description are you referring to?

Paolo

and time in a.u. does anyone have an idea of what convertion should I use?
Thanks for your time
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu<http://www.max-centre.eu>)
users mailing list users at lists.quantum-espresso.org<mailto:users at lists.quantum-espresso.org>
https://lists.quantum-espresso.org/mailman/listinfo/users


--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210729/15fe6d0a/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 26942CD404C44FF2B4442DE0CAE4DAEE.png
Type: image/png
Size: 113855 bytes
Desc: 26942CD404C44FF2B4442DE0CAE4DAEE.png
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210729/15fe6d0a/attachment.png>


More information about the users mailing list