ABINIT Discussion Forums

I'm coming across this term "ensemble DFT" originally described by Marzari, Vanderbilt, Payne in 1997 (PRL 79, 7) and I see no mention of it in abinit website, documentation, or forums. The technique helps eliminate convergence issues associated with metallic calculations. How can I do ens...

I'm trying to do calculation of a large metallic element (Bismuth but later other large metals too) and I'm wondering about doing it like tutorial 1 atomic (one atom only) vs tutorial 4 metallic (using a known crystal structure config). I tried to do it similar to tutorial 1, but for atomic Bi not m...