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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2020 | Gd_crystal | Wang, Fei | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -6797.92785858; eV | |||
| 21-Dec-2020 | La_crystal | Wang, Fei | vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex | Geometry optimization | DFT | - | -6786.36593353; eV | |||
| 21-Dec-2020 | Gd_0 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -46.01742778; Eh | |||
| 21-Dec-2020 | La_0 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -45.69221259; Eh | |||
| 21-Dec-2020 | La_1_5 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -46.24383160; Eh | |||
| 21-Dec-2020 | Lu_1_5 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -46.17942038; Eh | |||
| 21-Dec-2020 | Lu_0 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -45.58543593; Eh | |||
| 21-Dec-2020 | Gd_1_5 | Wang, Fei | ADF; 2016 | Geometry optimization | OPBE | TZP | -46.58764772; Eh |
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