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Browsing by Author López, Núria

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Showing results 1 to 6 of 6

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Feb-2018	EuOBr_bulk	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-48.01463447; eV
	1-Feb-2018	EuOBr_surface	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-378.46853794; eV
	1-Feb-2022	/NiO-AFM U5	López, Núria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-405.56484929; eV
	1-Feb-2022	/NiO-FM U5	López, Núria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-403.98066210; eV
	1-Feb-2018	VO2P2O7_bulk	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-819.03791944; eV
	1-Feb-2018	VO2P2O7_surface	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-1662.29459193; eV

Showing results 1 to 6 of 6