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