[Pw_forum] Spin Polarization and Relaxation

Akmal Khan khanakmal982 at gmail.com
Wed Nov 15 05:24:12 CET 2017


Dear QE users and experts,

                        The Final energy after relaxation with and without
spin polarization is different.It is,a bit, on higher side with spin
polarization. Do we need to include spin polarization during relaxation,?
What is the best approach to proceed?



Thank You.
A.Khan
M.phil Research Student
HU Pakistan.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171115/26a88e1d/attachment.html>


More information about the users mailing list