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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required15-Dec-2020Gd_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6797.92785858; eV
Login required21-Dec-2020Lu_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.17942038; Eh
Login required21-Dec-2020Gd_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.58764772; Eh
Login required21-Dec-2020La_1_5Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.24383160; Eh
Login required21-Dec-2020Gd_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-46.01742778; Eh
Login required21-Dec-2020Lu_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.58543593; Eh
Login required21-Dec-2020La_0Wang, FeiADF; 2016Geometry optimizationOPBETZP-45.69221259; Eh
Login required21-Dec-2020La_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6786.36593353; eV
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