Dear lammps users,
Recently, I tried to find some information of the free energy calculations of bulk solid in manual, but I
can not find something. Subsequently, I checked the lammps forum and find Mr. Paul’s suggest on using
WHAM code, but the code can only be used for 1-D and 2-D systems. Do you find a way to obtain the
free energy of solid, thermodynamic integration or umbrella sampling ? What’s the detailed steps to do that?
Any information is appreciated very much！ Thank you in advance!