[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
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