Hello,
I have been running a few test calculations using aiida-quantumespresso plugin on magnetic systems. I followed the tutorial at Magnetic configurations — aiida-quantumespresso documentation.
Tutorial ends with a question “Is it different from the one at the start of the initial run?”. I am wondering if there is any further information on this. Does aiida have a workchain to handle magnetic configurations converging to a state away from the initial configuration?
Thanks,
Kayahan
Dr. Kayahan Saritas
R&D Associate, Materials Theory Group
Materials Sciences and Technology Division
Oak Ridge National Laboratory