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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Oct-2023 | dir_Ag140_6oxy_4fold,_pDOS | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -380.12313964; eV | ||||
24-Oct-2023 | dir_Ag140_6oxy_4fold,_bader | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -380.12313964; eV | ||||
24-Oct-2023 | dir_Ag140_6oxy_3fold_edges,_analysis | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -379.01602258; eV | ||||
24-Oct-2023 | dir_Ag140_3fold_central_edges,_analysis | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -379.00532546; eV |
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