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Browsing by Author Davo, Arantxa

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Showing results 21 to 23 of 23 < previous

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
15-Apr-2021	/Ru/Ru_0001/H/1H fcc	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.33421042; eV
15-Apr-2021	/Ru/Ru_0001/H/1H hcp	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.29966361; eV
15-Apr-2021	/Ru/Ru_0001/H/1H top	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-141.86035934; eV

Showing results 21 to 23 of 23 < previous