[QE-users] How to specify starting magnetization for different intermediate images in a single NEB input

PARVEEN N/A parveen1 at cy.iitr.ac.in
Fri Dec 16 05:54:28 CET 2022


Dear All,
I have a general question regarding NEB input. I want to study a system in
which there are two intermediate images with different magnetic sites. For
these sites, I wish to specify different starting magnetizations for
different NEB images. How can I mention different starting magnetizations
for different intermediate images in a single NEB input?

Parveen Rawal,
Research Scholar
IIT Roorkee
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20221216/6dc3d719/attachment.html>


More information about the users mailing list