Top network posts
- 17 What are the ways to ensure thermodynamic stability of a DFT modelled new structure?
- 16 Difference between potential energy, free energy and Coulomb energy in solid state physics
- 15 Ab initio molecular dynamics to check material stability at finite temperature
- 13 How to analyze the space group of a relaxed structure that has fractional site occupancies
- 12 Why neural network predicts wrong on its own training data?
- 12 How does the atomic arrangement look like in a compound that has partial/mixed site occupancies
- 12 What ab initio methods are better suited to modelling disorder in materials?
- View more network posts →