On-the-fly Machine Learning PotentialsΒΆ
system |
potential |
purpose |
supercell size |
---|---|---|---|
MgO |
phonon, SSCHA |
2x2x2 |
|
SrTiO3 |
phonon, SSCHA |
2x2x2 |
system |
potential |
purpose |
supercell size |
---|---|---|---|
MgO |
phonon, SSCHA |
2x2x2 |
|
SrTiO3 |
phonon, SSCHA |
2x2x2 |