Hydrogen pseudopotentials for ABINIT
This page provides Hydrogen pseudopotential files for ABINIT-style workflows.
We use the
Quantum ESPRESSO naming convention
for file names.
Available files
- Pseudopotential type
- Local model irregular
- Method
- Equation (43), Physical Review B 86, 115101 (2012)
- Functional type
- Perdew-Zunger (PZ) LDA exchange-correlation used implicitly
- Generated by
- atom-recip-ver2.2 (not published) and atom-5.70/Martins2Abinit
- More information
- Discard comments inside the pseudopotential file.
- Pseudopotential type
- Local model irregular
- Method
- Equation (43), Physical Review B 86, 115101 (2012)
- Functional type
- Perdew-Zunger (PZ) LDA exchange-correlation used implicitly
- Generated by
- atom-recip-ver2.2 (not published) and atom-5.70/Martins2Abinit
- More information
- Discard comments inside the pseudopotential file.
- Pseudopotential type
- Local model regularized
- Method
- Inverse Fourier-Bessel transform of Equation (44), Physical Review B 86, 115101 (2012)
- Functional type
- Perdew-Zunger (PZ) LDA exchange-correlation used implicitly
- Generated by
- atom-recip-ver2.2 (not published) and atom-5.70/Martins2Abinit
- More information
- Discard comments inside the pseudopotential file.
- Pseudopotential type
- Local model regularized
- Method
- Inverse Fourier-Bessel transform of Equation (44), Physical Review B 86, 115101 (2012)
- Functional type
- Perdew-Zunger (PZ) LDA exchange-correlation used implicitly
- Generated by
- atom-recip-ver2.2 (not published) and atom-5.70/Martins2Abinit
- More information
- Discard comments inside the pseudopotential file.
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave (original Blöchl recipe)
- Functional type
- Perdew-Burke-Ernzerhof (PBE) exchange-correlation
- Generated by
- atompaw-3.0.1
- More information
-
Input file: H.pbe-bpaw_rc0.45-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave (Kresse-Joubert paper)
- Functional type
- Perdew-Burke-Ernzerhof (PBE) exchange-correlation
- Generated by
- atompaw-3.0.1
- More information
-
Input file: H.pbe-kjpaw_rc0.45-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave (original Blöchl recipe)
- Functional type
- Perdew-Wang 92 LDA exchange-correlation functional, Physical Review B 45, 13244 (1992)
- Generated by
- atompaw-3.0.1
- More information
-
Input file: H.pw-bpaw_rc0.45-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave (Kresse-Joubert paper)
- Functional type
- Perdew-Wang 92 LDA exchange-correlation functional, Physical Review B 45, 13244 (1992)
- Generated by
- atompaw-3.0.1
- More information
-
Input file: H.pw-kjpaw_rc0.45-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave (original Blöchl recipe)
- Functional type
- Perdew-Zunger (LDA) exchange-correlation
- Generated by
- atompaw-3.0.1
- More information
-
Input file: H.pz-bpaw_rc0.45-qtp.inp
