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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-2ce3-pos_28_35-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.62794721; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-2ce3-pos_30_32-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.48867247; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-1ce3-pos_29-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.62915545; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-2ce3-pos_29_31-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.62904231; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-1ce3-pos_32-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.56136370; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-1ce3-pos_36-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.47113791; eV
thumbnail.jpeg4-Aug-2022/Sampling Au-2O-nondefect-1ce3-pos_31-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--854.56103319; eV
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