Konferenční příspěvky / Conference papers (RAM) Collection home page

Browse
Subscribe to this collection to receive daily e-mail notification of new additions RSS Feed RSS Feed RSS Feed
Collection's Items (Sorted by Submit Date in Descending order): 1 to 1 of 1
Novák, Matyáš , Cimrman, Robert , Lukeš, Vladimír , Rohan, Eduard , Vackář, Jiří
Mixing algorithms for fixed-point iterations in self-consistent electronic structure calculations

In ab-initio calculations of electronic structure and material properties within the density-functional theory (DFT) framework, a self-consistent stationary state of a many-electron system is sought by a fixed-point iteration of Kohn-Sham equations, the so called DFT loop. One of the key com...

Collection's Items (Sorted by Submit Date in Descending order): 1 to 1 of 1