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Ab initio Calculations Using Vasp Code

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How to calculate the Total and Partial DOS of antifferromagnetic Nickel Oxide NiO Electronic Calculations

How to calculate the Total and Partial DOS of antifferromagnetic Nickel Oxide NiO

Abderrahmane REGGAD 14:14

POSCAR AFM NiO 4.17 1.0 0.5 0.5 0.5 1.0 0.5 0.5 0.5 1.0 2 2 Cartesian 0.0 0.0 0.0 1.0 1.0 1.0 0.5 0.5 0.5 1.5 1.5 1.5       INCAR SYSTEM …

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