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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Apr-2021	/Molecules H2O	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-14.23022237; eV
	15-Apr-2021	/Molecules H2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-6.77154632; eV
	7-Oct-2019	NaCl(001)_KNbO3(001)	Amaya Suárez, Javier	vasp; 5.4.1; 24Jun15 (build Dec 04 2017 15:02:45) complex	Geometry optimization	DFT	-	-77.17596360; eV
	13-Feb-2020	/2/A2 A2	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.63975366; eV
	13-Feb-2020	/1/B B1	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-278.79036423; eV
	13-Feb-2020	/1/C C1	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.79096889; eV
	13-Feb-2020	/6/A6 A6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.63360700; eV
	13-Feb-2020	/6/C6 C6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.98082574; eV
	13-Feb-2020	/6/B6 B6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-278.89332199; eV
	13-Feb-2020	/6/D6 D6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.10786830; eV

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