Mi-Song Dupuy

icon indicating a website link https://msdupuy.github.io/ icon indicating an email [email protected]

icon company Sorbonne Université icon location Paris

Results 2 comments of Mi-Song Dupuy

Adaptive depth DIIS

Without preconditionners, it seems to be more stable than the restarted version that is currently implemented (in the test, it is the case for Aluminium). I also tried on GaAs...

Adaptive depth DIIS

I have made a mistake in the restarted parameter so the convergence of AD-DIIIS is in fact similar for aluminium and gaas ![al](https://user-images.githubusercontent.com/26279216/188647368-62a6b200-f1bf-41a5-8954-76cf1ee7ca68.png) ![gaas](https://user-images.githubusercontent.com/26279216/188647382-7045e3b2-5eb9-445f-9077-b130264d36f4.png)