[QE-users] Center of mass motion when starting velocities are read from input

Valentina Tozzini valentina.tozzini at nano.cnr.it
Mon Sep 1 08:44:15 CEST 2025


Hi everybody, 

This is a question about the code cp.x.

I’m running simulations with given starting velocities read from input. 

It seems to me that the system correctly assign velocities to atoms, but then subtracts the center of mass velocity to all components. 

Am I right? 

Is the CM motion subtracted at first (or maybe all) steps during simulation?

And if yes, is there a way to prevent it? 


Thank you. 






_____________________________________________


_____________________________________________


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250901/4ecdacff/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Firma_istituzionale_reduced.png
Type: image/png
Size: 103417 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250901/4ecdacff/attachment.png>


More information about the users mailing list