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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Feb-2018	/BP_Opt/PrGd_NoLigands/Inv Inv	González Fabra, Joan	ADF; 2017	Geometry optimization	DFT	TZP	-
7-Feb-2018	/B3LYP/LaPr_NoLigands/Inv Inv	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/B3LYP/PrLu/Inv/Restart Restart	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/B3LYP/LaPr/Inv/FAIL FAIL	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
23-Aug-2018	/slabs/islanding/ni5p4 1_2_88	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-841.59265228; eV
30-Jan-2018	PdCl2_molec	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-7.64646806; eV
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
12-Feb-2019	sa-RhIr-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-342.29722908; eV
19-Sep-2018	/1_electron/1_H+/Mo2OS6H A	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.76779368; Eh
7-Feb-2018	/BP_Opt/PrGd_NoLigands/Exp Exp	González Fabra, Joan	ADF; 2017	Geometry optimization	DFT	TZP	-

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