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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_28_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.55767094; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_28_30-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.68262732; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-2ce3-pos_28_29-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.80349016; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-1ce3-pos_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.47916157; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-1ce3-pos_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.58083197; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_33_34_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.41160089; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-surfvac-1ce3-pos_28-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -850.61744424; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_32_33_34_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.46166283; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_34_35_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.35597930; eV | |||
 | 4-Aug-2022 | /Sampling Pt-2O-bulkvac-4ce3-pos_31_32_34_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only | Geometry optimization | DFT | - | -849.42753745; eV |
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