QuantumATK V-2023.12-SP1 version released on Mar 11, 2024
0 Members and 1 Guest are viewing this topic.
Can we apply LDA+U (or GGA+U..or whatever+U) to transport calculation?
QuoteCan we apply LDA+U (or GGA+U..or whatever+U) to transport calculation?Yes One example is attached, which mimics the calculation presented in Appl. Phys. Lett. 94, 252103 (2009).