Showing posts with the label Bulk CalculationsShow all
Geometrical Optimization
Equation of state (EOS)
First, do a bulk calculation for different lattice constants: import numpy as np from ase import Atoms from ase.io.trajectory import Tr…
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Hello, my name is Dr Abderrahmane Reggad. I'm a 51 year old and I am a researcher in materials' sciences.
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