Showing posts with the label Magnetic CalculationsShow all
Magnetic Calculations
How to determine the magnetic ground state of Chromium
In this tutorial, we will present how to determine the magnetic ground state of the Chromium compound Cr. We will do a volume optimization of the 2 m…
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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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Magnetic Properties
How to calculate the bandstructure of Iron (magnetic)
We need 2 files Fe-bands.cell ! Fe.cell %BLOCK LATTICE_CART -1.433199999999999 1.433200000000001 1.433200000000001 1.433200…
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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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