Hi everyone,
To optimize a large structure like a 5x5 supercell, what is the difference between using or not using a Dft-D Parameter in the calculation result?
And what are the concept of Dft-D parameters?
Hi everyone,
To optimize a large structure like a 5x5 supercell, what is the difference between using or not using a Dft-D Parameter in the calculation result?
And what are the concept of Dft-D parameters?