NOTE: We use the Quantum-Espresso naming convention.


Li.pbe-bpaw_rc0.80-qtp.abinit
Pseudopotential type: PAW
Method: Projector Augmented Wave Blöchl recipe [PRB 50, 17953 (1994); PRE 86, 056704 (2012)]
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr [PRL 77, 3865 (1996)]
Semi-core state in valence
Generated by: atompaw-3.0.1
More Information: Li.pbe-bpaw_rc0.80-qtp.inp


Li.pbe-kjpaw_rc0.80-qtp.abinit
Pseudopotential type: PAW
Method: Projector Augmented Wave Kresse-Joubert recipe [PRB 59, 1758 (1999); PRE 86, 056704 (2012)]
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr [PRL 77, 3865 (1996)]
Semi-core state in valence
Generated by: atompaw-3.0.1
More Information: Li.pbe-kjpaw_rc0.80-qtp.inp


Li.pw-bpaw_rc0.80-qtp.abinit
Pseudopotential type: PAW
Method: Projector Augmented Wave Blöchl recipe [PRB 50, 17953 (1994); PRE 86, 056704 (2012)]
Functional type: Perdew-Wang 92 LDA exch-corr functional [PRB 45, 13244 (1992)]
Semi-core state in valence
Generated by: atompaw-3.0.1
More Information: Li.pw-bpaw_rc0.80-qtp.inp


Li.pw-kjpaw_rc0.80-qtp.abinit
Pseudopotential type: PAW
Method: Projector Augmented Wave Kresse-Joubert recipe [PRB 59, 1758 (1999); PRE 86, 056704 (2012)]
Functional type: Perdew-Wang 92 LDA exch-corr functional [PRB 45, 13244 (1992)]
Semi-core state in valence
Generated by: atompaw-3.0.1
More Information: Li.pw-kjpaw_rc0.80-qtp.inp


Li.pz-bpaw_rc0.80-qtp.abinit
Pseudopotential type: PAW
Method: Projector Augmented Wave Blöchl recipe [PRB 50, 17953 (1994)]
Functional type: Perdew-Zunger (LDA) exch-corr [PRB 23, 5048 (1981)]
Semi-core state in valence
Generated by: atompaw-3.0.1
More Information: Li.pz-bpaw_rc0.80-qtp.inp


KGEC

PROFESS@Quantum-Espresso

LSDA Exchange-Correlation Free Energy Subroutines

Fermi-Dirac Integral Combination Fits

Pseudopotentials & PAWs

DFT Codes