Statements (19)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
computational method
|
| gptkbp:basedOn |
augmentation of wavefunctions
|
| gptkbp:citation |
Blöchl, P. E. (1994). Projector augmented-wave method. Phys. Rev. B, 50, 17953.
|
| gptkbp:developedBy |
Peter E. Blöchl
|
| gptkbp:enables |
treatment of core and valence electrons
|
| gptkbp:fullName |
Projector Augmented-Wave potentials
|
| https://www.w3.org/2000/01/rdf-schema#label |
PAW potentials
|
| gptkbp:implementedIn |
gptkb:ABINIT
gptkb:Quantum_ESPRESSO gptkb:VASP |
| gptkbp:improves |
accuracy of electronic structure calculations
|
| gptkbp:introducedIn |
1994
|
| gptkbp:publishedIn |
gptkb:Physical_Review_B
|
| gptkbp:relatedTo |
pseudopotentials
all-electron methods |
| gptkbp:usedIn |
gptkb:density_functional_theory
electronic structure calculations |
| gptkbp:bfsParent |
gptkb:POTCAR
|
| gptkbp:bfsLayer |
7
|