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

Title
Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso
Authors
Keywords
-
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 185, Issue 12, Pages 3240-3249
Publisher
Elsevier BV
Online
2014-09-16
DOI
10.1016/j.cpc.2014.08.023

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