Showing posts with the label Non-Bulk CalculationsShow All
Non-Bulk Calculations
How to do Local DOS calculation of Ni (100) Surface
We take the example of the surface of Nickel (100) POSCAR fcc (100) surface 3.53000000000000 0.5000000000000000 …
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Non-Bulk Calculations
How to do a Band Structure calculation of Ni (100) Surface
We take the example of the surface of Nickel (100) We need the 4 input files for a SCF calculation and modified INCAR KPOINT files for band calcul…
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Structural Calculations
How to do a Surface Relaxation of Ni (100)
We take the example of the surface of Nickel (100) POSCAR fcc (100) surface 3.53 .50000 .50000 .00000 -.50000 .50000 .00000 .000…
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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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