Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp2_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -60.04858633; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/surface_MD 300K_5layers_100 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -141.51643462; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp1_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -407.28794479; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp1_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -120.74530745; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp1_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -15.17285434; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp1_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -966.46092499; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 300K_hcp2_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -60.40846696; eV | |||
 | 22-Mar-2023 | /ini_data_source/CuxO/surface/22/211 POSCAR_27_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -217.96575031; eV |
Results 871-878 of 878 (Search time: 0.002 seconds).
Discover
Calculation type