Background
It was noted that for some DFT+U calculations, direct minimization methods (more specifically, preconditioned conjugate gradient method) is more stable than iterative methods with charge-mixing.
Describe the solution you'd like
Some information might be found in this paper: https://www.sciencedirect.com/science/article/abs/pii/0927025696000080
Additional Context
No response
Background
It was noted that for some DFT+U calculations, direct minimization methods (more specifically, preconditioned conjugate gradient method) is more stable than iterative methods with charge-mixing.
Describe the solution you'd like
Some information might be found in this paper: https://www.sciencedirect.com/science/article/abs/pii/0927025696000080
Additional Context
No response