scale_rho

  • atom_type: atomic density


The usage of scale_rho is as below. Users can give scale_rho value as atomic density(# of atoms / volume) for each atom. The unit of scale_rho is \(\mathrm{Å ^{-3}}\)

#input.yaml
preprocessing:
    scale_type: uniform gas
    scale_rho:
        Si: 0.01
        O : 0.02