acronyms
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acronyms [2019/12/17 17:21] – oschuett | acronyms [2021/11/05 16:19] – Add Internal link to PBC pmelix | ||
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| PAO | Polarized Atomic Orbital | | PAO | Polarized Atomic Orbital | ||
| PAO-ML | | PAO-ML | ||
- | | PBC | Periodic Boundary Conditions | + | | PBC |
| PBE | Perdew–Burke–Ernzerhof exchange-correlation functional | | PBE | Perdew–Burke–Ernzerhof exchange-correlation functional | ||
| PEXSI | Pole EXpansion and Selected Inversion method | | PEXSI | Pole EXpansion and Selected Inversion method | ||
Line 114: | Line 114: | ||
| XAS | X-ray Absorption Spectra | | XAS | X-ray Absorption Spectra | ||
| XC | eXchange and Correlation functional | | XC | eXchange and Correlation functional | ||
- | | XTB | eXtended Tight Binding | + | | xTB | eXtended Tight Binding |
| ZMP | Zhao-Morrison-Parr potential | | ZMP | Zhao-Morrison-Parr potential |
acronyms.txt · Last modified: 2023/07/21 09:42 by oschuett