Hi, I am working on a heterostructure of a perovskite system. I am giving a ferromagnetic (collinear) configuration for all the atoms in my input file. However, some of them (3-4 layers away from the interface) have negative moments (~-0.01) in the output file. I tried increasing the degauss value from 0.005 to 0.05. It is showing better results but I think it won't be practical to take such a high degauss value as it will be very high than the room temperature.
Can you please suggest some way to tackle this issue? Thanks and regards, Manisha Bansal PhD student School of Physics IISER-Trivandrum Kerala, India
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