Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso
Karasiev, Valentin V., Sjostrom, Travis, Trickey, S.B.Volume:
185
Language:
english
Journal:
Computer Physics Communications
DOI:
10.1016/j.cpc.2014.08.023
Date:
December, 2014
File:
PDF, 529 KB
english, 2014