Browsing by Author Xuning, Wang
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 100 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -279.96513877; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 110 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -306.09542534; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 120 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -336.19994011; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 130 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -369.50770369; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 18 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -42.73736172; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 180 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -517.12466144; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 20 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -48.42823293; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 220 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -638.67423359; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 23 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -56.09366935; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 260 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -757.40315327; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 30 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -75.41196944; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 31 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -78.31179514; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 320 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -938.32911682; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 33 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -84.48415820; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 40 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -104.14154538; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 45 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -118.29953900; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 51 | Xuning, Wang | vasp; 5.4.1; 24Jun15 (build Nov 12 2022 00:42:08) gamma-only | Geometry optimization | DFT | - | -135.23951078; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 60 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -163.19113024; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 80 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -219.81760638; eV | |||
 | 11-Feb-2025 | /bare-Cu-cluster/rpso 90 | Xuning, Wang | vasp; 5.4.1; 05Feb16 (build Aug 31 2021 10:13:08) gamma-only | Geometry optimization | DFT | - | -250.55447014; eV |