hi
Can we calculate adsorption energy in lammps.(adsorption energy of hydrogen in graphen)?
ramin
|
Yes, with simple arithmetic operations of three final potential energies: E_gra+H, E_gra, E_H.
Ray
hi
Can we calculate adsorption energy in lammps.(adsorption energy of hydrogen in graphen)?
ramin
|
Yes, with simple arithmetic operations of three final potential energies: E_gra+H, E_gra, E_H.
Ray