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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2023 | /ini_data_source/Cu2O/bulk 111_700K | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Ab-Initio Molecular Dynamics | DFT | - | -27.45161708; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu2O/bulk 211_1550K | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -51.24742083; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu2O/bulk 211_700K | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -53.66076405; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp2_222 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -60.43634764; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_hcp1_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -15.08518621; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_fcc_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -406.66031853; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 500K_fcc_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -977.96184095; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_hcp1_111 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -14.90467620; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_fcc_444 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -954.23377984; eV | |||
 | 22-Mar-2023 | /ini_data_source/Cu/bulk_MD 700K_fcc_333 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -404.58195941; eV |
Results 41-50 of 73 (Search time: 0.001 seconds).