[Pw_forum] relaxation via forces

Ben Hope bth20 at cam.ac.uk
Mon Feb 21 15:20:30 CET 2005



Is it possible to get pwscf to perform the relaxation purely by minimizing
forces rather than via a total energy calculation?




-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20050221/f5fc3bc6/attachment.html>

More information about the users mailing list