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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Feb-2018 | EuOBr_surface | López, Núria | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -378.46853794; 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 | ||||
1-Feb-2018 | VO2P2O7_surface | López, Núria | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -1662.29459193; eV | ||||
1-Feb-2018 | VO2P2O7_bulk | López, Núria | vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex | Geometry optimization | - | - | -819.03791944; eV |
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