Showing posts with the label Atomic-Molecular CalculationShow All
Atomic-Molecular Calculation
How to perform a standard calculation for a single oxygen atom in a box
Input POSCAR O atom in a box 1.0 ! universal scaling parameters 8.0 0.0 0.0 ! lattice vector a(1) 0.0 8.0 0.0 ! lattice vector a(2)…
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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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