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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Aug-2018/ni111/c2h4 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--220.97874399; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h4 2Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--221.19479923; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h2 5Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--212.61432693; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h2 3Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--213.91348664; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h2 4Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--213.85913777; eV
thumbnail.jpeg23-Aug-2018/ni111/c2h2 1Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--213.50983152; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_P_159_Ni_91Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1281.78357984; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer9_P_159_Ni_96Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1280.89749343; eV
thumbnail.jpeg23-Aug-2018/slabs/islanding/ni3p1 1_81_18Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--633.86454092; eV
thumbnail.jpeg23-Aug-2018/slabs/segregation/ni5p4 layer10_P_159_Ni_104Li, Qiangvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1281.30653851; eV
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