Apps
Determine
migration
map
The path search procedure based on analysis of distances between nearest neighbours and the crystallographic symmetry of atomic positions.
migration
map
The path search procedure based on analysis of distances between nearest neighbours and the crystallographic symmetry of atomic positions.
Determine diffusion
coefficient and ionic
conductivity
The procedure for calculating the diffusion coefficient and ionic conductivity is based on the root mean square displacement of atoms and the Nernst-Einstein relation, respectively.
coefficient and ionic
conductivity
The procedure for calculating the diffusion coefficient and ionic conductivity is based on the root mean square displacement of atoms and the Nernst-Einstein relation, respectively.