Lithium pseudopotentials for ABINIT
This page provides Lithium pseudopotential files for ABINIT-style workflows.
We use the
Quantum ESPRESSO naming convention
for file names.
Available files
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave Blöchl recipe, Physical Review B 50, 17953 (1994); Physical Review E 86, 056704 (2012)
- Functional type
- Perdew-Burke-Ernzerhof (PBE) exchange-correlation, Physical Review Letters 77, 3865 (1996)
- Valence treatment
- Semi-core state in valence
- Generated by
- atompaw-3.0.1
- More information
-
Input file: Li.pbe-bpaw_rc0.80-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave Kresse-Joubert recipe, Physical Review B 59, 1758 (1999); Physical Review E 86, 056704 (2012)
- Functional type
- Perdew-Burke-Ernzerhof (PBE) exchange-correlation, Physical Review Letters 77, 3865 (1996)
- Valence treatment
- Semi-core state in valence
- Generated by
- atompaw-3.0.1
- More information
-
Input file: Li.pbe-kjpaw_rc0.80-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave Blöchl recipe, Physical Review B 50, 17953 (1994); Physical Review E 86, 056704 (2012)
- Functional type
- Perdew-Wang 92 LDA exchange-correlation functional, Physical Review B 45, 13244 (1992)
- Valence treatment
- Semi-core state in valence
- Generated by
- atompaw-3.0.1
- More information
-
Input file: Li.pw-bpaw_rc0.80-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave Kresse-Joubert recipe, Physical Review B 59, 1758 (1999); Physical Review E 86, 056704 (2012)
- Functional type
- Perdew-Wang 92 LDA exchange-correlation functional, Physical Review B 45, 13244 (1992)
- Valence treatment
- Semi-core state in valence
- Generated by
- atompaw-3.0.1
- More information
-
Input file: Li.pw-kjpaw_rc0.80-qtp.inp
- Pseudopotential type
- PAW
- Method
- Projector Augmented Wave Blöchl recipe, Physical Review B 50, 17953 (1994)
- Functional type
- Perdew-Zunger (LDA) exchange-correlation, Physical Review B 23, 5048 (1981)
- Valence treatment
- Semi-core state in valence
- Generated by
- atompaw-3.0.1
- More information
-
Input file: Li.pz-bpaw_rc0.80-qtp.inp
