[Pw_forum] Detecting Magnetic ion
Youssef Aharbil
aharbil at gmail.com
Mon Oct 27 22:49:30 CET 2014
Dear Quantum espresso community,
I am dealing with the investigation of magnetic properties of ternary
compound, as you know you must tell the code the start_magnetization per
element to take in account to break the symmetry, hence one must study
case by case by iterating +1,0,-1 initial guess. the number of
possibilities is very huge.
Is there any hint or trick to accelerate that iterative process?
Youssef Aharbil
PhD Student
Faculty of sciences ben msik
Morocco
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20141027/b9ef3494/attachment.html>
More information about the users
mailing list