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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
![]() | cube_standard_AFM | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -119375.203465; eV | ||
![]() | cube_standard_FM | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -119389.504420; eV | ||
![]() | cube_standard_NODFTD | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -119362.357772; eV | ||
![]() | cube_standard | Chuong Nguyën, Huu | QuantumEspresso; 6.1; 13369 | PBE | Ultrasoft | -119376.683917; eV |
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