You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
This paper describes a matrix-free Newton algorithm for DFT. The action of the Jacobian on the solution is calculated efficiently using FFT. This can be combined with a linear solver like GMRES that requires only the product of the Jacobian with the current x value.
Convergence could be improved, but as of right now it looks like we would need to implement the GMRES algorithm ourselves.
Activity