acronyms
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| acronyms [2019/12/17 16:28] – oschuett | acronyms [2022/03/05 12:23] – oschuett | ||
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| | DOS | Density Of States | | DOS | Density Of States | ||
| | EAM | Embedded-Atom Method | | EAM | Embedded-Atom Method | ||
| + | | EC | Energy Correction | ||
| | EIP | Empirical Interatomic Potential | | EIP | Empirical Interatomic Potential | ||
| | ELPA | Eigenvalue soLvers for Petascale Applications | | ELPA | Eigenvalue soLvers for Petascale Applications | ||
| Line 46: | Line 47: | ||
| | HF | Hartree Fock | | | HF | Hartree Fock | | ||
| | HFX | Hartree Fock eXchange | | HFX | Hartree Fock eXchange | ||
| + | | HIP | Heterogeneous Interface for Portability | ||
| | IEEE | Institute of Electrical and Electronics Engineers | | IEEE | Institute of Electrical and Electronics Engineers | ||
| | KS | Kohn-Sham | | KS | Kohn-Sham | ||
| Line 70: | Line 72: | ||
| | NEGF | Non-Equilibrium Green' | | NEGF | Non-Equilibrium Green' | ||
| | NMR | Nuclear Magnetic Resonance | | NMR | Nuclear Magnetic Resonance | ||
| + | | NNP | Neural Network Potential | ||
| | NpE | Constant Number, Pressure, and Energy | | NpE | Constant Number, Pressure, and Energy | ||
| | NVE | Constant Number, Volume, and Energy | | NVE | Constant Number, Volume, and Energy | ||
| Line 79: | Line 82: | ||
| | 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 117: | ||
| | XAS | X-ray Absorption Spectra | | XAS | X-ray Absorption Spectra | ||
| | XC | eXchange and Correlation functional | | XC | eXchange and Correlation functional | ||
| + | | 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