Jiayu Dai wrote: > i found that the mixing_mode of local-TF and TF can improve the > convergence greatly.[...] Are there any references about it?
there is some explanation in the paper describing QE: J. Phys.: Condens. Matter 21, 395502 (2009). The relevant reference is D. Raczkowski, A. Canning, and L. W. Wang, Phys. Rev. B64, R121101 (2001) P. -- Paolo Giannozzi, Democritos and University of Udine, Italy