[Pw_forum] How to fix angles in VC-Relax?

David Foster davidfoster751 at yahoo.com
Tue Dec 5 10:11:02 CET 2017


Dear Users,I am working on a bulk which axes are not orthogonal. I want to relax only axes and fix the angels. Which version of "cell_dofree" is proper for this issue?

Regards
 
 David
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171205/12be76dd/attachment.html>


More information about the users mailing list