Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso

Valentin V. Karasiev, Travis Sjostrom, Samuel B. Trickey. Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso. Computer Physics Communications, 185(12):3240-3249, 2014. [doi]

Abstract

Abstract is missing.