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

标题
Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso
作者
关键词
-
出版物
COMPUTER PHYSICS COMMUNICATIONS
Volume 185, Issue 12, Pages 3240-3249
出版商
Elsevier BV
发表日期
2014-09-16
DOI
10.1016/j.cpc.2014.08.023

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