Showing posts with the label DFT-U CalculationsShow all
Magnetic Calculations
How to calculate the Band Structure of AFM FeO using PBE and PBE+U Methods
In this tutorial we will calculate the Band Structure of the antiferromagnetic Iron Oxide feO using PBE and PBE+U methods. We need 2 input files .ce…
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My name is Dr Abderrahmane Reggad. I'm a 54 year old and I am a researcher in materials' sciences.
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