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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jun-2020 | ZnNiFeO4_001_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -161409.000806; eV | |||
 | 26-Jun-2020 | ZnNiFeO4_001_Ni_OOH_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -162293.985251; eV | |||
 | 26-Jun-2020 | ZnNiFeO4_001_Ni_OH_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -161860.204935; eV | |||
 | 26-Jun-2020 | ZnNiFeO4_001_Zn_OH_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -161859.544562; eV | |||
 | 26-Jun-2020 | ZnNiFeO4_001_Zn_O_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -161842.666898; eV | |||
 | 26-Jun-2020 | ZnNiFeO4_001_Zn_OOH_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -162293.721635; eV | |||
 | 26-Jun-2020 | ZNN_OH_in2 | Chuong Nguyën, Huu | QuantumEspresso; 6.2; 13949:13950 | Geometry optimization | PBE | Ultrasoft | -193713.390714; eV | |||
 | 26-Jun-2020 | c00004 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.508269; eV | |||
 | 26-Jun-2020 | c00002 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.572542; eV | |||
 | 26-Jun-2020 | c00006 | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | Geometry optimization | PBE | Ultrasoft | -129138.433581; eV |
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