NOTE: We use the Quantum-Espresso naming convention.


H.pbe-kjpaw_rc0.45-qtp.UPF
Pseudopotential type: PAW
Method: Projector Augmented-Wave (Kresse-Joubert paper)
Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr
Generated by: atompaw-3.0.1
More Information: H.pbe-kjpaw_rc0.45-qtp.inp


H.pw-kjpaw_rc0.45-qtp.UPF
Pseudopotential type: PAW
Method: Projector Augmented Wave (Kresse-Joubert paper)
Functional type: Perdew-Wang 92 LDA exch-corr functional [PRB 45, 13244 (1992)]
Generated by: atompaw-3.0.1
More Information: H.pw-kjpaw_rc0.45-qtp.inp


H.pz-locmodreg_rc0.25-qtp.UPF
Pseudopotential type: local model regularized
Method: inverse Fourier-Bessel transform of Eq. (44) PRB 86, 115101 (2012)
Functional type: Perdew-Zunger (PZ) LDA exch-corr used implicitly
Generated by: atom-recip-ver2.3 (not published)


KGEC

PROFESS@Quantum-Espresso

LSDA Exchange-Correlation Free Energy Subroutines

Fermi-Dirac Integral Combination Fits

Pseudopotentials & PAWs

DFT Codes